CID 15957927

Schembl14014409

Structural Information

Molecular Formula
C25H17N3O3
SMILES
C1=CC=C(C=C1)C2=C(N3C(=C(C=N3)C(=O)O)N=C2)C4=CC=C(C=C4)OC5=CC=CC=C5
InChI
InChI=1S/C25H17N3O3/c29-25(30)22-16-27-28-23(21(15-26-24(22)28)17-7-3-1-4-8-17)18-11-13-20(14-12-18)31-19-9-5-2-6-10-19/h1-16H,(H,29,30)
InChIKey
VPNWZLQSZBWNDM-UHFFFAOYSA-N
Compound name
7-(4-phenoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

407.12698 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.13426 197.1
[M+Na]+ 430.11620 205.8
[M-H]- 406.11970 206.4
[M+NH4]+ 425.16080 204.4
[M+K]+ 446.09014 198.2
[M+H-H2O]+ 390.12424 184.6
[M+HCOO]- 452.12518 215.6
[M+CH3COO]- 466.14083 206.1
[M+Na-2H]- 428.10165 200.4
[M]+ 407.12643 199.0
[M]- 407.12753 199.0
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