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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.16558 183.2
[M+Na]+ 374.14752 190.3
[M-H]- 350.15102 188.6
[M+NH4]+ 369.19212 193.6
[M+K]+ 390.12146 184.6
[M+H-H2O]+ 334.15556 172.4
[M+HCOO]- 396.15650 198.5
[M+CH3COO]- 410.17215 192.3
[M+Na-2H]- 372.13297 184.1
[M]+ 351.15775 182.4
[M]- 351.15885 182.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe