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 204.1
[M+Na]+ 456.13525 206.6
[M-H]- 432.13875 212.6
[M+NH4]+ 451.17985 212.2
[M+K]+ 472.10919 200.8
[M+H-H2O]+ 416.14329 193.5
[M+HCOO]- 478.14423 222.2
[M+CH3COO]- 492.15988 232.1
[M+Na-2H]- 454.12070 204.5
[M]+ 433.14548 204.6
[M]- 433.14658 204.6
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.