CID 75480699

3-phenyl-5h,6h,7h,8h-imidazo[1,5-a]pyridine-7-carboxylic acid hydrochloride

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₂

SMILES

C1CN2C(=CN=C2C3=CC=CC=C3)CC1C(=O)O

InChI

InChI=1S/C14H14N2O2/c17-14(18)11-6-7-16-12(8-11)9-15-13(16)10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,17,18)

InChIKey

NIOMROFCJYJCRC-UHFFFAOYSA-N

Compound name

3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.10553 Da
Monoisotopic Mass: 1.6
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]+	243.112806	154.0
[M+Na]+	265.094748	161.2
[M-H]-	241.098254	157.5
[M+NH4]+	260.139353	170.6
[M+K]+	281.068688	156.9
[M+H-H2O]+	225.102790	145.8
[M+HCOO]-	287.103731	171.6
[M+CH3COO]-	301.119381	165.3
[M+Na-2H]-	263.080196	157.4
[M]+	242.10498142	151.3
[M]-	242.10607858	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.