CID 24835018

89258-13-9

Structural Information

Molecular Formula
C25H21N3O4S
SMILES
CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CN/N=C/C4=CC=C(C=C4)C(=O)OC
InChI
InChI=1S/C25H21N3O4S/c1-16(29)19-11-12-23-21(13-19)28(20-5-3-4-6-22(20)33-23)24(30)15-27-26-14-17-7-9-18(10-8-17)25(31)32-2/h3-14,27H,15H2,1-2H3/b26-14+
InChIKey
KBNRCXZCKZOMEU-VULFUBBASA-N
Compound name
methyl 4-[(E)-[[2-(2-acetylphenothiazin-10-yl)-2-oxoethyl]hydrazinylidene]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.12527 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.13255 206.8
[M+Na]+ 482.11449 211.6
[M-H]- 458.11799 213.8
[M+NH4]+ 477.15909 215.6
[M+K]+ 498.08843 206.7
[M+H-H2O]+ 442.12253 196.4
[M+HCOO]- 504.12347 220.7
[M+CH3COO]- 518.13912 240.0
[M+Na-2H]- 480.09994 209.1
[M]+ 459.12472 211.1
[M]- 459.12582 211.1
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.