CID 15957936

Schembl14014427

Structural Information

Molecular Formula
C25H17ClN4O2
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CC(=NC4=CC(=NN34)C(=O)N)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C25H17ClN4O2/c26-18-10-6-16(7-11-18)21-14-23(30-24(28-21)15-22(29-30)25(27)31)17-8-12-20(13-9-17)32-19-4-2-1-3-5-19/h1-15H,(H2,27,31)
InChIKey
ITALRFHBXOTZTE-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-7-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

440.104 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.11128 204.9
[M+Na]+ 463.09322 215.0
[M-H]- 439.09672 214.9
[M+NH4]+ 458.13782 212.3
[M+K]+ 479.06716 206.1
[M+H-H2O]+ 423.10126 192.3
[M+HCOO]- 485.10220 220.6
[M+CH3COO]- 499.11785 213.9
[M+Na-2H]- 461.07867 207.2
[M]+ 440.10345 208.8
[M]- 440.10455 208.8
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