CID 15957903

Schembl14014351

Structural Information

Molecular Formula
C26H18FN3O3
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NC4=CC(=NN4C(=C3)C5=CC(=CC=C5)F)C(=O)O
InChI
InChI=1S/C26H18FN3O3/c27-20-8-4-7-19(13-20)24-14-22(28-25-15-23(26(31)32)29-30(24)25)18-9-11-21(12-10-18)33-16-17-5-2-1-3-6-17/h1-15H,16H2,(H,31,32)
InChIKey
JCPIRTLUKKIPSZ-UHFFFAOYSA-N
Compound name
7-(3-fluorophenyl)-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

439.1332 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.14048 205.5
[M+Na]+ 462.12242 214.6
[M-H]- 438.12592 213.5
[M+NH4]+ 457.16702 211.6
[M+K]+ 478.09636 206.3
[M+H-H2O]+ 422.13046 191.8
[M+HCOO]- 484.13140 222.5
[M+CH3COO]- 498.14705 213.7
[M+Na-2H]- 460.10787 206.8
[M]+ 439.13265 207.2
[M]- 439.13375 207.2
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