CID 15958095

N-[6-(4-benzyloxyphenyl)-7-cyclohexyl-pyrazolo[1,5-a]pyrimidin-3-yl]-3,4-dioxo-hexanamide

Structural Information

Molecular Formula
C31H32N4O4
SMILES
CCC(=O)C(=O)CC(=O)NC1=C2N=CC(=C(N2N=C1)C3CCCCC3)C4=CC=C(C=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C31H32N4O4/c1-2-27(36)28(37)17-29(38)34-26-19-33-35-30(23-11-7-4-8-12-23)25(18-32-31(26)35)22-13-15-24(16-14-22)39-20-21-9-5-3-6-10-21/h3,5-6,9-10,13-16,18-19,23H,2,4,7-8,11-12,17,20H2,1H3,(H,34,38)
InChIKey
DTFFGIYXBAJSAK-UHFFFAOYSA-N
Compound name
N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-3,4-dioxohexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.2424 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.24968 226.2
[M+Na]+ 547.23162 228.0
[M-H]- 523.23512 234.5
[M+NH4]+ 542.27622 228.2
[M+K]+ 563.20556 221.8
[M+H-H2O]+ 507.23966 212.4
[M+HCOO]- 569.24060 239.5
[M+CH3COO]- 583.25625 230.9
[M+Na-2H]- 545.21707 223.3
[M]+ 524.24185 225.8
[M]- 524.24295 225.8
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

No patent data available for this compound.