CID 15958084

Schembl14014806

Structural Information

Molecular Formula
C23H21N3O3
SMILES
CC(C)C1=C(C=NC2=CC(=NN21)C(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C23H21N3O3/c1-15(2)22-19(13-24-21-12-20(23(27)28)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
WCCZHGBFNQIITJ-UHFFFAOYSA-N
Compound name
6-(4-phenylmethoxyphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

387.1583 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.165576 193.5
[M+Na]+ 410.147518 201.8
[M-H]- 386.151024 199.8
[M+NH4]+ 405.192123 202.5
[M+K]+ 426.121458 195.6
[M+H-H2O]+ 370.155560 182.4
[M+HCOO]- 432.156501 211.0
[M+CH3COO]- 446.172151 202.7
[M+Na-2H]- 408.132966 194.8
[M]+ 387.15775142 197.3
[M]- 387.15884858 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