CID 16226992

923677-00-3

Structural Information

Molecular Formula
C10H10ClN3O2
SMILES
CC(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)Cl
InChI
InChI=1S/C10H10ClN3O2/c1-5(11)9(15)12-6-2-3-7-8(4-6)14-10(16)13-7/h2-5H,1H3,(H,12,15)(H2,13,14,16)
InChIKey
KAVUXOBVQPLOTK-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.04616 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.05344 148.1
[M+Na]+ 262.03538 159.8
[M+NH4]+ 257.07998 154.6
[M+K]+ 278.00932 156.6
[M-H]- 238.03888 147.6
[M+Na-2H]- 260.02083 152.4
[M]+ 239.04561 149.5
[M]- 239.04671 149.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.