CID 15957955

Schembl14014485

Structural Information

Molecular Formula
C26H19N3O3
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=C(N4C(=CC(=N4)C(=O)O)N=C3)C5=CC=CC=C5
InChI
InChI=1S/C26H19N3O3/c30-26(31)23-15-24-27-16-22(25(29(24)28-23)20-9-5-2-6-10-20)19-11-13-21(14-12-19)32-17-18-7-3-1-4-8-18/h1-16H,17H2,(H,30,31)
InChIKey
SKYRQKWEWIHMMP-UHFFFAOYSA-N
Compound name
7-phenyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

421.14264 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.14992 201.5
[M+Na]+ 444.13186 209.6
[M-H]- 420.13536 210.5
[M+NH4]+ 439.17646 208.1
[M+K]+ 460.10580 201.8
[M+H-H2O]+ 404.13990 188.6
[M+HCOO]- 466.14084 219.6
[M+CH3COO]- 480.15649 210.0
[M+Na-2H]- 442.11731 204.2
[M]+ 421.14209 203.6
[M]- 421.14319 203.6
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