CID 15957940

Schembl14014438

Structural Information

Molecular Formula
C26H19ClN4O2
SMILES
CNC(=O)C1=NN2C(=CC(=NC2=C1)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OC5=CC=CC=C5
InChI
InChI=1S/C26H19ClN4O2/c1-28-26(32)23-16-25-29-22(17-7-11-19(27)12-8-17)15-24(31(25)30-23)18-9-13-21(14-10-18)33-20-5-3-2-4-6-20/h2-16H,1H3,(H,28,32)
InChIKey
QNEJOSSSTIPYPC-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-N-methyl-7-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

454.11966 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.12694 209.2
[M+Na]+ 477.10888 218.9
[M-H]- 453.11238 219.4
[M+NH4]+ 472.15348 216.3
[M+K]+ 493.08282 210.0
[M+H-H2O]+ 437.11692 196.2
[M+HCOO]- 499.11786 225.1
[M+CH3COO]- 513.13351 217.9
[M+Na-2H]- 475.09433 211.8
[M]+ 454.11911 214.2
[M]- 454.12021 214.2
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