CID 15958096

N-[6-(4-benzyloxyphenyl)-7-cyclohexyl-pyrazolo[1,5-a]pyrimidin-3-yl]-2,3-dioxo-butanamide

Structural Information

Molecular Formula
C29H28N4O4
SMILES
CC(=O)C(=O)C(=O)NC1=C2N=CC(=C(N2N=C1)C3CCCCC3)C4=CC=C(C=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C29H28N4O4/c1-19(34)27(35)29(36)32-25-17-31-33-26(22-10-6-3-7-11-22)24(16-30-28(25)33)21-12-14-23(15-13-21)37-18-20-8-4-2-5-9-20/h2,4-5,8-9,12-17,22H,3,6-7,10-11,18H2,1H3,(H,32,36)
InChIKey
HNUNFTKMWQNUTF-UHFFFAOYSA-N
Compound name
N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2,3-dioxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.21106 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.21834 217.9
[M+Na]+ 519.20028 220.7
[M-H]- 495.20378 226.7
[M+NH4]+ 514.24488 221.2
[M+K]+ 535.17422 214.8
[M+H-H2O]+ 479.20832 204.5
[M+HCOO]- 541.20926 232.0
[M+CH3COO]- 555.22491 223.5
[M+Na-2H]- 517.18573 216.1
[M]+ 496.21051 217.0
[M]- 496.21161 217.0
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.