CID 135570499

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

Structural Information

Molecular Formula
C23H19N3O3S
SMILES
CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CN/N=C/C4=CC=C(C=C4)O
InChI
InChI=1S/C23H19N3O3S/c1-15(27)17-8-11-22-20(12-17)26(19-4-2-3-5-21(19)30-22)23(29)14-25-24-13-16-6-9-18(28)10-7-16/h2-13,25,28H,14H2,1H3/b24-13+
InChIKey
WJKAZYCQDCKWNV-ZMOGYAJESA-N
Compound name
1-(2-acetylphenothiazin-10-yl)-2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.11472 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.12200 195.0
[M+Na]+ 440.10394 200.8
[M-H]- 416.10744 201.1
[M+NH4]+ 435.14854 205.2
[M+K]+ 456.07788 194.6
[M+H-H2O]+ 400.11198 185.3
[M+HCOO]- 462.11292 208.9
[M+CH3COO]- 476.12857 203.1
[M+Na-2H]- 438.08939 198.8
[M]+ 417.11417 197.0
[M]- 417.11527 197.0
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.