CID 9554003

2-acetyl-10-((((4-(dimethylamino)phenyl)methylene)hydrazino)acetyl)-10h-phenothiazine

Structural Information

Molecular Formula
C25H24N4O2S
SMILES
CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CN/N=C/C4=CC=C(C=C4)N(C)C
InChI
InChI=1S/C25H24N4O2S/c1-17(30)19-10-13-24-22(14-19)29(21-6-4-5-7-23(21)32-24)25(31)16-27-26-15-18-8-11-20(12-9-18)28(2)3/h4-15,27H,16H2,1-3H3/b26-15+
InChIKey
FVKYOBOOTUOAOL-CVKSISIWSA-N
Compound name
1-(2-acetylphenothiazin-10-yl)-2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.162 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.16928 203.2
[M+Na]+ 467.15122 215.8
[M+NH4]+ 462.19582 210.7
[M+K]+ 483.12516 205.7
[M-H]- 443.15472 209.9
[M+Na-2H]- 465.13667 210.9
[M]+ 444.16145 207.3
[M]- 444.16255 207.3
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.