CID 57521

99629-62-6

Structural Information

Molecular Formula
C28H28N4O7S
SMILES
CCOC1=CC=C(C=C1)N=C2N(C(=O)CS2)NC(=O)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC
InChI
InChI=1S/C28H28N4O7S/c1-5-39-21-12-10-20(11-13-21)30-28-32(24(33)16-40-28)31-27(35)17-6-8-19(9-7-17)29-26(34)18-14-22(36-2)25(38-4)23(15-18)37-3/h6-15H,5,16H2,1-4H3,(H,29,34)(H,31,35)
InChIKey
KTSZRGUEXDEPDL-UHFFFAOYSA-N
Compound name
N-[4-[[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-3-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

564.16785 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.17513 232.5
[M+Na]+ 587.15707 235.6
[M-H]- 563.16057 245.0
[M+NH4]+ 582.20167 236.3
[M+K]+ 603.13101 232.8
[M+H-H2O]+ 547.16511 220.9
[M+HCOO]- 609.16605 250.4
[M+CH3COO]- 623.18170 260.3
[M+Na-2H]- 585.14252 229.3
[M]+ 564.16730 239.8
[M]- 564.16840 239.8
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.