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 204.6
[M+Na]+ 467.15122 209.2
[M-H]- 443.15472 212.8
[M+NH4]+ 462.19582 214.6
[M+K]+ 483.12516 204.1
[M+H-H2O]+ 427.15926 193.8
[M+HCOO]- 489.16020 220.3
[M+CH3COO]- 503.17585 244.2
[M+Na-2H]- 465.13667 207.6
[M]+ 444.16145 208.0
[M]- 444.16255 208.0
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.