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 148.5
[M+Na]+ 262.03538 158.6
[M-H]- 238.03888 148.6
[M+NH4]+ 257.07998 165.7
[M+K]+ 278.00932 152.7
[M+H-H2O]+ 222.04342 142.5
[M+HCOO]- 284.04436 164.4
[M+CH3COO]- 298.06001 186.5
[M+Na-2H]- 260.02083 153.0
[M]+ 239.04561 149.3
[M]- 239.04671 149.3
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.