CID 202413

10326-86-0

Structural Information

Molecular Formula

C₁₅H₁₄N₂O₂

SMILES

CC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C(=O)O)C

InChI

InChI=1S/C15H14N2O2/c1-8-9(2)13(15(18)19)14-16-11-6-4-5-7-12(11)17(14)10(8)3/h4-7H,1-3H3,(H,18,19)

InChIKey

UTKKZVMMOVPBDC-UHFFFAOYSA-N

Compound name

1,2,3-trimethylpyrido[1,2-a]benzimidazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 254.10553 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	255.112806	157.3
[M+Na]+	277.094748	169.8
[M-H]-	253.098254	160.5
[M+NH4]+	272.139353	175.9
[M+K]+	293.068688	164.8
[M+H-H2O]+	237.102790	150.5
[M+HCOO]-	299.103731	177.1
[M+CH3COO]-	313.119381	170.4
[M+Na-2H]-	275.080196	161.5
[M]+	254.10498142	161.8
[M]-	254.10607858	161.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.