CID 3000568

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

Structural Information

Molecular Formula
C17H18N4O2S
SMILES
CCNC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H18N4O2S/c1-2-18-17(24)21-20-16(23)13-8-10-14(11-9-13)19-15(22)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,19,22)(H,20,23)(H2,18,21,24)
InChIKey
DRWPESMQYLXGJT-UHFFFAOYSA-N
Compound name
N-[4-[(ethylcarbamothioylamino)carbamoyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.11505 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.12233 179.2
[M+Na]+ 365.10427 182.1
[M-H]- 341.10777 185.1
[M+NH4]+ 360.14887 191.2
[M+K]+ 381.07821 177.3
[M+H-H2O]+ 325.11231 170.0
[M+HCOO]- 387.11325 199.1
[M+CH3COO]- 401.12890 217.3
[M+Na-2H]- 363.08972 181.3
[M]+ 342.11450 177.5
[M]- 342.11560 177.5
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.