CID 3000567

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

Structural Information

Molecular Formula
C16H16N4O2S
SMILES
CNC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H16N4O2S/c1-17-16(23)20-19-15(22)12-7-9-13(10-8-12)18-14(21)11-5-3-2-4-6-11/h2-10H,1H3,(H,18,21)(H,19,22)(H2,17,20,23)
InChIKey
OOJOTADHFMIOFZ-UHFFFAOYSA-N
Compound name
N-[4-[(methylcarbamothioylamino)carbamoyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.0994 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10668 175.0
[M+Na]+ 351.08862 178.3
[M-H]- 327.09212 181.1
[M+NH4]+ 346.13322 187.5
[M+K]+ 367.06256 173.8
[M+H-H2O]+ 311.09666 166.0
[M+HCOO]- 373.09760 195.2
[M+CH3COO]- 387.11325 214.3
[M+Na-2H]- 349.07407 177.6
[M]+ 328.09885 172.9
[M]- 328.09995 172.9
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.