CID 24835019

89258-12-8

Structural Information

Molecular Formula
C30H23N3O4S
SMILES
CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CN/N=C/C4=CC=C(C=C4)C(=O)OC5=CC=CC=C5
InChI
InChI=1S/C30H23N3O4S/c1-20(34)23-15-16-28-26(17-23)33(25-9-5-6-10-27(25)38-28)29(35)19-32-31-18-21-11-13-22(14-12-21)30(36)37-24-7-3-2-4-8-24/h2-18,32H,19H2,1H3/b31-18+
InChIKey
OBCWWNINIJKSEF-FDAWAROLSA-N
Compound name
phenyl 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

521.1409 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.14818 219.6
[M+Na]+ 544.13012 233.8
[M+NH4]+ 539.17472 226.1
[M+K]+ 560.10406 223.1
[M-H]- 520.13362 227.1
[M+Na-2H]- 542.11557 228.9
[M]+ 521.14035 224.2
[M]- 521.14145 224.2
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.