CID 9554005

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

Structural Information

Molecular Formula
C23H17Cl2N3O2S
SMILES
CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CN/N=C/C4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C23H17Cl2N3O2S/c1-14(29)16-7-9-22-20(11-16)28(19-4-2-3-5-21(19)31-22)23(30)13-27-26-12-15-6-8-17(24)18(25)10-15/h2-12,27H,13H2,1H3/b26-12+
InChIKey
SWVUNYMHLCWCMP-RPPGKUMJSA-N
Compound name
1-(2-acetylphenothiazin-10-yl)-2-[(2E)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.04184 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.04912 205.9
[M+Na]+ 492.03106 221.8
[M+NH4]+ 487.07566 214.3
[M+K]+ 508.00500 209.5
[M-H]- 468.03456 212.0
[M+Na-2H]- 490.01651 213.4
[M]+ 469.04129 211.1
[M]- 469.04239 211.1
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.