CID 15957973

Schembl14014533

Structural Information

Molecular Formula
C26H25N3O3
SMILES
C1CCC(CC1)C2=CN3C(=CC(=N3)C(=O)O)N=C2C4=CC=C(C=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C26H25N3O3/c30-26(31)23-15-24-27-25(22(16-29(24)28-23)19-9-5-2-6-10-19)20-11-13-21(14-12-20)32-17-18-7-3-1-4-8-18/h1,3-4,7-8,11-16,19H,2,5-6,9-10,17H2,(H,30,31)
InChIKey
QXWFUINYCFXHGW-UHFFFAOYSA-N
Compound name
6-cyclohexyl-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

427.1896 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.19688 203.2
[M+Na]+ 450.17882 208.4
[M-H]- 426.18232 210.9
[M+NH4]+ 445.22342 209.4
[M+K]+ 466.15276 201.1
[M+H-H2O]+ 410.18686 190.2
[M+HCOO]- 472.18780 217.2
[M+CH3COO]- 486.20345 210.2
[M+Na-2H]- 448.16427 203.0
[M]+ 427.18905 201.3
[M]- 427.19015 201.3
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