CID 15958119

Schembl4708491

Structural Information

Molecular Formula
C26H25N3O3
SMILES
COC1=CC=CC(=C1)C2=CC=C(C=C2)C3=C(N4C(=C(C=N4)C(=O)O)N=C3)C5CCCCC5
InChI
InChI=1S/C26H25N3O3/c1-32-21-9-5-8-20(14-21)17-10-12-18(13-11-17)22-15-27-25-23(26(30)31)16-28-29(25)24(22)19-6-3-2-4-7-19/h5,8-16,19H,2-4,6-7H2,1H3,(H,30,31)
InChIKey
WNELCOVKQFMWFU-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-[4-(3-methoxyphenyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

427.1896 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.19688 204.3
[M+Na]+ 450.17882 210.4
[M-H]- 426.18232 212.5
[M+NH4]+ 445.22342 210.8
[M+K]+ 466.15276 203.2
[M+H-H2O]+ 410.18686 191.5
[M+HCOO]- 472.18780 218.4
[M+CH3COO]- 486.20345 211.7
[M+Na-2H]- 448.16427 203.4
[M]+ 427.18905 202.9
[M]- 427.19015 202.9
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