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]+ 240.053436 148.5
[M+Na]+ 262.035378 158.6
[M-H]- 238.038884 148.6
[M+NH4]+ 257.079983 165.7
[M+K]+ 278.009318 152.7
[M+H-H2O]+ 222.043420 142.5
[M+HCOO]- 284.044361 164.4
[M+CH3COO]- 298.060011 186.5
[M+Na-2H]- 260.020826 153.0
[M]+ 239.04561142 149.3
[M]- 239.04670858 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.