CID 6492058

5-{[(4-chlorophenyl)methyl]amino}-2,3-dihydro-1h-1,3-benzodiazol-2-one

Structural Information

Molecular Formula
C14H12ClN3O
SMILES
C1=CC(=CC=C1CNC2=CC3=C(C=C2)NC(=O)N3)Cl
InChI
InChI=1S/C14H12ClN3O/c15-10-3-1-9(2-4-10)8-16-11-5-6-12-13(7-11)18-14(19)17-12/h1-7,16H,8H2,(H2,17,18,19)
InChIKey
HWWGJYGURVCFCR-UHFFFAOYSA-N
Compound name
5-[(4-chlorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

273.0669 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.074176 158.2
[M+Na]+ 296.056118 169.2
[M-H]- 272.059624 161.4
[M+NH4]+ 291.100723 174.1
[M+K]+ 312.030058 160.7
[M+H-H2O]+ 256.064160 150.6
[M+HCOO]- 318.065101 175.7
[M+CH3COO]- 332.080751 170.0
[M+Na-2H]- 294.041566 164.5
[M]+ 273.06635142 159.1
[M]- 273.06744858 159.1
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.