CID 15958088

Schembl14014815

Structural Information

Molecular Formula
C24H23N3O3
SMILES
CC(C)CC1=C(C=NC2=C(C=NN12)C(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C24H23N3O3/c1-16(2)12-22-20(13-25-23-21(24(28)29)14-26-27(22)23)18-8-10-19(11-9-18)30-15-17-6-4-3-5-7-17/h3-11,13-14,16H,12,15H2,1-2H3,(H,28,29)
InChIKey
SFFYWJPGXUOKRV-UHFFFAOYSA-N
Compound name
7-(2-methylpropyl)-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

401.17395 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.18123 198.0
[M+Na]+ 424.16317 205.7
[M-H]- 400.16667 204.0
[M+NH4]+ 419.20777 206.3
[M+K]+ 440.13711 199.3
[M+H-H2O]+ 384.17121 186.6
[M+HCOO]- 446.17215 215.0
[M+CH3COO]- 460.18780 206.7
[M+Na-2H]- 422.14862 198.7
[M]+ 401.17340 202.0
[M]- 401.17450 202.0
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