CID 135570554

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

Structural Information

Molecular Formula
C24H21N3O4S
SMILES
CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CN/N=C/C4=C(C=C(C=C4)OC)O
InChI
InChI=1S/C24H21N3O4S/c1-15(28)16-8-10-23-20(11-16)27(19-5-3-4-6-22(19)32-23)24(30)14-26-25-13-17-7-9-18(31-2)12-21(17)29/h3-13,26,29H,14H2,1-2H3/b25-13+
InChIKey
VFYXGWOLDLPFON-DHRITJCHSA-N
Compound name
1-(2-acetylphenothiazin-10-yl)-2-[(2E)-2-[(2-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.12527 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.13255 203.1
[M+Na]+ 470.11449 215.8
[M+NH4]+ 465.15909 209.5
[M+K]+ 486.08843 206.5
[M-H]- 446.11799 207.9
[M+Na-2H]- 468.09994 209.3
[M]+ 447.12472 206.6
[M]- 447.12582 206.6
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.