CID 16049464

Schembl4124305

Structural Information

Molecular Formula
C25H22Cl2N4O
SMILES
C1CCC(CC1)NC(=O)C2=C3N=CC(=C(N3N=C2)C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl
InChI
InChI=1S/C25H22Cl2N4O/c26-17-12-10-16(11-13-17)23-20(19-8-4-5-9-22(19)27)14-28-24-21(15-29-31(23)24)25(32)30-18-6-2-1-3-7-18/h4-5,8-15,18H,1-3,6-7H2,(H,30,32)
InChIKey
ZZBARLOXOSWJIH-UHFFFAOYSA-N
Compound name
6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclohexylpyrazolo[1,5-a]pyrimidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

464.11707 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.12435 210.1
[M+Na]+ 487.10629 217.9
[M-H]- 463.10979 218.2
[M+NH4]+ 482.15089 217.3
[M+K]+ 503.08023 208.3
[M+H-H2O]+ 447.11433 197.1
[M+HCOO]- 509.11527 217.0
[M+CH3COO]- 523.13092 217.1
[M+Na-2H]- 485.09174 209.2
[M]+ 464.11652 210.9
[M]- 464.11762 210.9
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