CID 15958089

Schembl14014821

Structural Information

Molecular Formula
C23H21N3O3
SMILES
CC(C)C1=C(C=NC2=C(C=NN12)C(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C23H21N3O3/c1-15(2)21-19(12-24-22-20(23(27)28)13-25-26(21)22)17-8-10-18(11-9-17)29-14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,27,28)
InChIKey
RUJUVZCIAPEIAV-UHFFFAOYSA-N
Compound name
6-(4-phenylmethoxyphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

387.1583 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.16558 193.5
[M+Na]+ 410.14752 201.8
[M-H]- 386.15102 199.8
[M+NH4]+ 405.19212 202.5
[M+K]+ 426.12146 195.6
[M+H-H2O]+ 370.15556 182.4
[M+HCOO]- 432.15650 211.0
[M+CH3COO]- 446.17215 202.7
[M+Na-2H]- 408.13297 194.8
[M]+ 387.15775 197.3
[M]- 387.15885 197.3
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