CID 82783907

1955548-28-3

Structural Information

Molecular Formula
C12H15N3O3
SMILES
CN(C)CCN1C2=C(C=CC(=C2)C(=O)O)NC1=O
InChI
InChI=1S/C12H15N3O3/c1-14(2)5-6-15-10-7-8(11(16)17)3-4-9(10)13-12(15)18/h3-4,7H,5-6H2,1-2H3,(H,13,18)(H,16,17)
InChIKey
BIZMXNOTUIAPLZ-UHFFFAOYSA-N
Compound name
3-[2-(dimethylamino)ethyl]-2-oxo-1H-benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.11134 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.11862 153.7
[M+Na]+ 272.10056 163.3
[M-H]- 248.10406 155.4
[M+NH4]+ 267.14516 170.5
[M+K]+ 288.07450 160.2
[M+H-H2O]+ 232.10860 146.6
[M+HCOO]- 294.10954 175.3
[M+CH3COO]- 308.12519 195.2
[M+Na-2H]- 270.08601 157.5
[M]+ 249.11079 157.0
[M]- 249.11189 157.0
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.