PubChemLite - 2-acetyl-10-((((3,4-trimethoxyphenyl)methylene)hydrazino)acetyl)-10h-phenothiazine (C26H25N3O5S)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C26H25N3O5S/c1-16(30)17-10-12-23-20(13-17)29(19-7-5-6-8-22(19)35-23)24(31)15-28-27-14-18-9-11-21(32-2)26(34-4)25(18)33-3/h5-14,28H,15H2,1-4H3/b27-14+

InChIKey

ZDIUVZAXRJBCRZ-MZJWZYIUSA-N

Compound name

1-(2-acetylphenothiazin-10-yl)-2-[(2E)-2-[(2,3,4-trimethoxyphenyl)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]+	492.15878	215.8
[M+Na]+	514.14072	221.3
[M-H]-	490.14422	223.1
[M+NH4]+	509.18532	223.6
[M+K]+	530.11466	217.1
[M+H-H2O]+	474.14876	204.8
[M+HCOO]-	536.14970	230.1
[M+CH3COO]-	550.16535	248.0
[M+Na-2H]-	512.12617	217.4
[M]+	491.15095	223.8
[M]-	491.15205	223.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

492.15878

215.8

[M+Na]+

514.14072

221.3

[M-H]-

490.14422

223.1

[M+NH4]+

509.18532

223.6

[M+K]+

530.11466

217.1

[M+H-H2O]+

474.14876

204.8

[M+HCOO]-

536.14970

230.1

[M+CH3COO]-

550.16535

248.0

[M+Na-2H]-

512.12617

217.4

[M]+

491.15095

223.8

[M]-

491.15205

223.8

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

2-acetyl-10-((((3,4-trimethoxyphenyl)methylene)hydrazino)acetyl)-10h-phenothiazine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe