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

129
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 149.6
[M+Na]+ 256.06927 159.8
[M+NH4]+ 251.11387 154.7
[M+K]+ 272.04321 157.8
[M-H]- 232.07277 148.2
[M+Na-2H]- 254.05472 152.9
[M]+ 233.07950 150.1
[M]- 233.08060 150.1
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

patents stripe