CID 9554002

10h-phenothiazine, 2-acetyl-10-((((2-chlorophenyl)methylene)hydrazino)acetyl)-

Structural Information

Molecular Formula

C₂₃H₁₈ClN₃O₂S

SMILES

CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CN/N=C/C4=CC=CC=C4Cl

InChI

InChI=1S/C23H18ClN3O2S/c1-15(28)16-10-11-22-20(12-16)27(19-8-4-5-9-21(19)30-22)23(29)14-26-25-13-17-6-2-3-7-18(17)24/h2-13,26H,14H2,1H3/b25-13+

InChIKey

WEADSHFHKGCPHF-DHRITJCHSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 435.0808 Da
Monoisotopic Mass: 5.1
XlogP (predicted)

Profile

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]+	436.088076	198.9
[M+Na]+	458.070018	206.2
[M-H]-	434.073524	206.3
[M+NH4]+	453.114623	210.2
[M+K]+	474.043958	198.8
[M+H-H2O]+	418.078060	189.8
[M+HCOO]-	480.079001	209.7
[M+CH3COO]-	494.094651	207.5
[M+Na-2H]-	456.055466	202.2
[M]+	435.08025142	203.7
[M]-	435.08134858	203.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.