CID 717547

4-[(3-chlorophenyl)carbamoylamino]benzamide

Structural Information

Molecular Formula
C14H12ClN3O2
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)NC2=CC=C(C=C2)C(=O)N
InChI
InChI=1S/C14H12ClN3O2/c15-10-2-1-3-12(8-10)18-14(20)17-11-6-4-9(5-7-11)13(16)19/h1-8H,(H2,16,19)(H2,17,18,20)
InChIKey
YOOYBCAMHOPOAE-UHFFFAOYSA-N
Compound name
4-[(3-chlorophenyl)carbamoylamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

289.0618 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.06908 164.7
[M+Na]+ 312.05102 176.5
[M+NH4]+ 307.09562 171.9
[M+K]+ 328.02496 170.1
[M-H]- 288.05452 169.5
[M+Na-2H]- 310.03647 172.6
[M]+ 289.06125 167.7
[M]- 289.06235 167.7
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

patents stripe