CID 1139102

330829-30-6

Structural Information

Molecular Formula
C24H23N3O5S
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H23N3O5S/c1-30-19-12-16(13-20(31-2)21(19)32-3)23(29)27-24(33)26-18-11-7-10-17(14-18)25-22(28)15-8-5-4-6-9-15/h4-14H,1-3H3,(H,25,28)(H2,26,27,29,33)
InChIKey
KVQVEZQDNHMQJV-UHFFFAOYSA-N
Compound name
N-[(3-benzamidophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

88
Patents

465.13583 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.143106 210.5
[M+Na]+ 488.125048 213.8
[M-H]- 464.128554 219.6
[M+NH4]+ 483.169653 217.5
[M+K]+ 504.098988 209.9
[M+H-H2O]+ 448.133090 199.7
[M+HCOO]- 510.134031 228.9
[M+CH3COO]- 524.149681 239.9
[M+Na-2H]- 486.110496 210.1
[M]+ 465.13528142 214.6
[M]- 465.13637858 214.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe