PubChemLite - 10h-phenothiazine, 2-acetyl-10-((((3-phenylmethoxy)phenyl)methylene)hydrazino)acetyl)- (C30H25N3O3S)

Structural Information

Molecular Formula

SMILES

CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CN/N=C/C4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C30H25N3O3S/c1-21(34)24-14-15-29-27(17-24)33(26-12-5-6-13-28(26)37-29)30(35)19-32-31-18-23-10-7-11-25(16-23)36-20-22-8-3-2-4-9-22/h2-18,32H,19-20H2,1H3/b31-18+

InChIKey

QXSKOQDUMXEQQD-FDAWAROLSA-N

Compound name

1-(2-acetylphenothiazin-10-yl)-2-[(2E)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]ethanone

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	508.16893	220.0
[M+Na]+	530.15087	224.1
[M-H]-	506.15437	229.3
[M+NH4]+	525.19547	226.2
[M+K]+	546.12481	217.2
[M+H-H2O]+	490.15891	207.6
[M+HCOO]-	552.15985	234.0
[M+CH3COO]-	566.17550	226.3
[M+Na-2H]-	528.13632	223.2
[M]+	507.16110	222.8
[M]-	507.16220	222.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

508.16893

220.0

[M+Na]+

530.15087

224.1

[M-H]-

506.15437

229.3

[M+NH4]+

525.19547

226.2

[M+K]+

546.12481

217.2

[M+H-H2O]+

490.15891

207.6

[M+HCOO]-

552.15985

234.0

[M+CH3COO]-

566.17550

226.3

[M+Na-2H]-

528.13632

223.2

[M]+

507.16110

222.8

[M]-

507.16220

222.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

10h-phenothiazine, 2-acetyl-10-((((3-phenylmethoxy)phenyl)methylene)hydrazino)acetyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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