CID 9588067

10-(((1-(3-acetamidophenyl)ethylidene)hydrazino)acetyl)-10h-phenothiazine

Structural Information

Molecular Formula
C24H22N4O2S
SMILES
C/C(=N\NCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)/C4=CC(=CC=C4)NC(=O)C
InChI
InChI=1S/C24H22N4O2S/c1-16(18-8-7-9-19(14-18)26-17(2)29)27-25-15-24(30)28-20-10-3-5-12-22(20)31-23-13-6-4-11-21(23)28/h3-14,25H,15H2,1-2H3,(H,26,29)/b27-16+
InChIKey
MBMKXWSTBSLRMH-JVWAILMASA-N
Compound name
N-[3-[(E)-C-methyl-N-[(2-oxo-2-phenothiazin-10-ylethyl)amino]carbonimidoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.14636 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.15364 198.3
[M+Na]+ 453.13558 202.3
[M-H]- 429.13908 205.1
[M+NH4]+ 448.18018 208.1
[M+K]+ 469.10952 196.6
[M+H-H2O]+ 413.14362 188.1
[M+HCOO]- 475.14456 213.1
[M+CH3COO]- 489.16021 205.9
[M+Na-2H]- 451.12103 202.4
[M]+ 430.14581 199.3
[M]- 430.14691 199.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.