CID 117822

26576-46-5

Structural Information

Molecular Formula
C11H11N3O3
SMILES
CC(=O)CC(=O)NC1=CC2=C(C=C1)NC(=O)N2
InChI
InChI=1S/C11H11N3O3/c1-6(15)4-10(16)12-7-2-3-8-9(5-7)14-11(17)13-8/h2-3,5H,4H2,1H3,(H,12,16)(H2,13,14,17)
InChIKey
VEMDQCGHZNXORX-UHFFFAOYSA-N
Compound name
3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

135
Patents

233.08005 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.08733 148.8
[M+Na]+ 256.06927 157.8
[M-H]- 232.07277 148.9
[M+NH4]+ 251.11387 165.2
[M+K]+ 272.04321 153.5
[M+H-H2O]+ 216.07731 141.9
[M+HCOO]- 278.07825 169.3
[M+CH3COO]- 292.09390 187.1
[M+Na-2H]- 254.05472 153.3
[M]+ 233.07950 148.6
[M]- 233.08060 148.6
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

patents stripe