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 202.9
[M+Na]+ 470.11449 208.7
[M-H]- 446.11799 209.1
[M+NH4]+ 465.15909 211.9
[M+K]+ 486.08843 203.2
[M+H-H2O]+ 430.12253 192.9
[M+HCOO]- 492.12347 216.5
[M+CH3COO]- 506.13912 236.7
[M+Na-2H]- 468.09994 205.8
[M]+ 447.12472 207.0
[M]- 447.12582 207.0
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.