CID 10361223

Schembl14014932

Structural Information

Molecular Formula
C22H23N3O2
SMILES
C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C(=O)O)C4CC4C5=CC=CC=C5
InChI
InChI=1S/C22H23N3O2/c26-22(27)19-13-24-25-20(15-9-5-2-6-10-15)18(12-23-21(19)25)17-11-16(17)14-7-3-1-4-8-14/h1,3-4,7-8,12-13,15-17H,2,5-6,9-11H2,(H,26,27)
InChIKey
UXOWPSLVBJKGCM-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-(2-phenylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

361.17902 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.18630 189.6
[M+Na]+ 384.16824 197.9
[M-H]- 360.17174 197.8
[M+NH4]+ 379.21284 195.0
[M+K]+ 400.14218 190.1
[M+H-H2O]+ 344.17628 179.3
[M+HCOO]- 406.17722 204.9
[M+CH3COO]- 420.19287 197.8
[M+Na-2H]- 382.15369 189.2
[M]+ 361.17847 188.9
[M]- 361.17957 188.9
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