CID 9554003

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

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]+ 445.169276 204.6
[M+Na]+ 467.151218 209.2
[M-H]- 443.154724 212.8
[M+NH4]+ 462.195823 214.6
[M+K]+ 483.125158 204.1
[M+H-H2O]+ 427.159260 193.8
[M+HCOO]- 489.160201 220.3
[M+CH3COO]- 503.175851 244.2
[M+Na-2H]- 465.136666 207.6
[M]+ 444.16145142 208.0
[M]- 444.16254858 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.