CID 15957972

Schembl14014528

Structural Information

Molecular Formula

C₂₀H₂₁N₃O₃

SMILES

COC1=CC=C(C=C1)C2=NC3=CC(=NN3C=C2C4CCCCC4)C(=O)O

InChI

InChI=1S/C20H21N3O3/c1-26-15-9-7-14(8-10-15)19-16(13-5-3-2-4-6-13)12-23-18(21-19)11-17(22-23)20(24)25/h7-13H,2-6H2,1H3,(H,24,25)

InChIKey

GOLJSEZOZAZOSM-UHFFFAOYSA-N

Compound name

6-cyclohexyl-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 351.1583 Da
Monoisotopic Mass: 4.4
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]+	352.165576	183.2
[M+Na]+	374.147518	190.3
[M-H]-	350.151024	188.6
[M+NH4]+	369.192123	193.6
[M+K]+	390.121458	184.6
[M+H-H2O]+	334.155560	172.4
[M+HCOO]-	396.156501	198.5
[M+CH3COO]-	410.172151	192.3
[M+Na-2H]-	372.132966	184.1
[M]+	351.15775142	182.4
[M]-	351.15884858	182.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe