CID 16227604

8-carbamoyl-2-phenylimidazo[1,5-a]pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula

C₁₄H₁₀N₄O₃

SMILES

C1=CC=C(C=C1)C2=NC3=C(N=CN3C(=C2)C(=O)O)C(=O)N

InChI

InChI=1S/C14H10N4O3/c15-12(19)11-13-17-9(8-4-2-1-3-5-8)6-10(14(20)21)18(13)7-16-11/h1-7H,(H2,15,19)(H,20,21)

InChIKey

QGWHUWMWFWEBPO-UHFFFAOYSA-N

Compound name

8-carbamoyl-2-phenylimidazo[1,5-a]pyrimidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 282.0753 Da
Monoisotopic Mass: 1.8
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]+	283.082576	161.1
[M+Na]+	305.064518	171.0
[M-H]-	281.068024	164.5
[M+NH4]+	300.109123	174.3
[M+K]+	321.038458	166.3
[M+H-H2O]+	265.072560	152.2
[M+HCOO]-	327.073501	181.4
[M+CH3COO]-	341.089151	172.5
[M+Na-2H]-	303.049966	165.4
[M]+	282.07475142	162.1
[M]-	282.07584858	162.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.