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]+ 274.07418 158.2
[M+Na]+ 296.05612 169.2
[M-H]- 272.05962 161.4
[M+NH4]+ 291.10072 174.1
[M+K]+ 312.03006 160.7
[M+H-H2O]+ 256.06416 150.6
[M+HCOO]- 318.06510 175.7
[M+CH3COO]- 332.08075 170.0
[M+Na-2H]- 294.04157 164.5
[M]+ 273.06635 159.1
[M]- 273.06745 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.