CID 9554004

2-acetyl-10-((((4-methoxyphenyl)methylene)hydrazino)acetyl)-10h-phenothiazine

Structural Information

Molecular Formula
C24H21N3O3S
SMILES
CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CN/N=C/C4=CC=C(C=C4)OC
InChI
InChI=1S/C24H21N3O3S/c1-16(28)18-9-12-23-21(13-18)27(20-5-3-4-6-22(20)31-23)24(29)15-26-25-14-17-7-10-19(30-2)11-8-17/h3-14,26H,15H2,1-2H3/b25-14+
InChIKey
IFTFTLLQHGBRPB-AFUMVMLFSA-N
Compound name
1-(2-acetylphenothiazin-10-yl)-2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.13037 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.13765 200.3
[M+Na]+ 454.11959 206.0
[M-H]- 430.12309 207.5
[M+NH4]+ 449.16419 210.5
[M+K]+ 470.09353 200.3
[M+H-H2O]+ 414.12763 189.9
[M+HCOO]- 476.12857 215.2
[M+CH3COO]- 490.14422 208.5
[M+Na-2H]- 452.10504 203.7
[M]+ 431.12982 204.2
[M]- 431.13092 204.2
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.