CID 66664490

1356016-27-7

Structural Information

Molecular Formula

C₈H₆N₄O₃

SMILES

C1=C(C=NC2=C(C=NN21)C(=O)O)C(=O)N

InChI

InChI=1S/C8H6N4O3/c9-6(13)4-1-10-7-5(8(14)15)2-11-12(7)3-4/h1-3H,(H2,9,13)(H,14,15)

InChIKey

ZYLIVCXNTPXFMJ-UHFFFAOYSA-N

Compound name

6-carbamoylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 206.04399 Da
Monoisotopic Mass: -1.3
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]+	207.05127	140.1
[M+Na]+	229.03321	150.9
[M+NH4]+	224.07781	145.4
[M+K]+	245.00715	150.0
[M-H]-	205.03671	138.6
[M+Na-2H]-	227.01866	144.1
[M]+	206.04344	140.7
[M]-	206.04454	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe