CID 15957888

Schembl14014324

Structural Information

Molecular Formula
C26H19N3O3
SMILES
COC1=CC=CC=C1C2=NC3=CC(=NN3C(=C2)C4=CC=C(C=C4)C5=CC=CC=C5)C(=O)O
InChI
InChI=1S/C26H19N3O3/c1-32-24-10-6-5-9-20(24)21-15-23(29-25(27-21)16-22(28-29)26(30)31)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-16H,1H3,(H,30,31)
InChIKey
VGPBASREJILHEC-UHFFFAOYSA-N
Compound name
5-(2-methoxyphenyl)-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

421.14264 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.14992 202.5
[M+Na]+ 444.13186 211.6
[M-H]- 420.13536 212.0
[M+NH4]+ 439.17646 209.5
[M+K]+ 460.10580 203.9
[M+H-H2O]+ 404.13990 189.9
[M+HCOO]- 466.14084 220.7
[M+CH3COO]- 480.15649 211.4
[M+Na-2H]- 442.11731 204.5
[M]+ 421.14209 205.2
[M]- 421.14319 205.2
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