CID 717547

4-(((3-chloroanilino)carbonyl)amino)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 164.4
[M+Na]+ 312.05102 171.1
[M-H]- 288.05452 170.8
[M+NH4]+ 307.09562 179.4
[M+K]+ 328.02496 166.1
[M+H-H2O]+ 272.05906 157.2
[M+HCOO]- 334.06000 185.6
[M+CH3COO]- 348.07565 205.6
[M+Na-2H]- 310.03647 168.2
[M]+ 289.06125 163.6
[M]- 289.06235 163.6
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