CID 10314111

Schembl14014967

Structural Information

Molecular Formula

C₁₇H₁₇N₅O₂

SMILES

C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C(=O)O)C4=CN=CN=C4

InChI

InChI=1S/C17H17N5O2/c23-17(24)14-9-21-22-15(11-4-2-1-3-5-11)13(8-20-16(14)22)12-6-18-10-19-7-12/h6-11H,1-5H2,(H,23,24)

InChIKey

SOSGNXHMQLTYIC-UHFFFAOYSA-N

Compound name

7-cyclohexyl-6-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 323.1382 Da
Monoisotopic Mass: 2.0
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]+	324.145476	175.8
[M+Na]+	346.127418	183.5
[M-H]-	322.130924	178.6
[M+NH4]+	341.172023	184.3
[M+K]+	362.101358	177.1
[M+H-H2O]+	306.135460	163.8
[M+HCOO]-	368.136401	189.2
[M+CH3COO]-	382.152051	184.4
[M+Na-2H]-	344.112866	178.7
[M]+	323.13765142	173.2
[M]-	323.13874858	173.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe