CID 57514

N-(4-(((4-oxo-2-(phenylimino)-3-thiazolidinyl)amino)carbonyl)phenyl)-3,4,5-trimethoxybenzamide

Structural Information

Molecular Formula
C26H24N4O6S
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)C(=O)NN3C(=O)CSC3=NC4=CC=CC=C4
InChI
InChI=1S/C26H24N4O6S/c1-34-20-13-17(14-21(35-2)23(20)36-3)24(32)27-19-11-9-16(10-12-19)25(33)29-30-22(31)15-37-26(30)28-18-7-5-4-6-8-18/h4-14H,15H2,1-3H3,(H,27,32)(H,29,33)
InChIKey
VYTGDWDBUONDOH-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N-[4-[(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)carbamoyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.14166 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.14894 221.8
[M+Na]+ 543.13088 225.7
[M-H]- 519.13438 234.5
[M+NH4]+ 538.17548 227.5
[M+K]+ 559.10482 222.1
[M+H-H2O]+ 503.13892 210.6
[M+HCOO]- 565.13986 240.4
[M+CH3COO]- 579.15551 251.0
[M+Na-2H]- 541.11633 219.7
[M]+ 520.14111 226.8
[M]- 520.14221 226.8
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.