CID 4957170

881747-61-1

Structural Information

Molecular Formula
C24H23N3O3S
SMILES
CC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3
InChI
InChI=1S/C24H23N3O3S/c1-17-7-5-6-10-21(17)23(29)26-27-24(31)25-22(28)19-11-13-20(14-12-19)30-16-15-18-8-3-2-4-9-18/h2-14H,15-16H2,1H3,(H,26,29)(H2,25,27,28,31)
InChIKey
QEFCOTATWSZGHF-UHFFFAOYSA-N
Compound name
N-[[(2-methylbenzoyl)amino]carbamothioyl]-4-(2-phenylethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.14603 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.15331 203.0
[M+Na]+ 456.13525 213.7
[M+NH4]+ 451.17985 208.9
[M+K]+ 472.10919 204.7
[M-H]- 432.13875 209.6
[M+Na-2H]- 454.12070 212.0
[M]+ 433.14548 206.6
[M]- 433.14658 206.6
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.