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]+ 418.121996 195.0
[M+Na]+ 440.103938 200.8
[M-H]- 416.107444 201.1
[M+NH4]+ 435.148543 205.2
[M+K]+ 456.077878 194.6
[M+H-H2O]+ 400.111980 185.3
[M+HCOO]- 462.112921 208.9
[M+CH3COO]- 476.128571 203.1
[M+Na-2H]- 438.089386 198.8
[M]+ 417.11417142 197.0
[M]- 417.11526858 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.