CID 3000570

N-[4-[(phenethylcarbamothioylamino)carbamoyl]phenyl]benzamide

Structural Information

Molecular Formula
C23H22N4O2S
SMILES
C1=CC=C(C=C1)CCNC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H22N4O2S/c28-21(18-9-5-2-6-10-18)25-20-13-11-19(12-14-20)22(29)26-27-23(30)24-16-15-17-7-3-1-4-8-17/h1-14H,15-16H2,(H,25,28)(H,26,29)(H2,24,27,30)
InChIKey
RBIGMUDWJJUMCV-UHFFFAOYSA-N
Compound name
N-[4-[(2-phenylethylcarbamothioylamino)carbamoyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

418.14636 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.15364 197.7
[M+Na]+ 441.13558 199.3
[M-H]- 417.13908 205.9
[M+NH4]+ 436.18018 206.0
[M+K]+ 457.10952 193.0
[M+H-H2O]+ 401.14362 187.2
[M+HCOO]- 463.14456 217.1
[M+CH3COO]- 477.16021 231.1
[M+Na-2H]- 439.12103 200.2
[M]+ 418.14581 195.6
[M]- 418.14691 195.6
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

No patent data available for this compound.