CID 15958081

Schembl14014799

Structural Information

Molecular Formula
C27H28N4O2
SMILES
CC(=O)NC1=C2N=CC(=C(N2N=C1)C3CCCCC3)C4=CC=C(C=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C27H28N4O2/c1-19(32)30-25-17-29-31-26(22-10-6-3-7-11-22)24(16-28-27(25)31)21-12-14-23(15-13-21)33-18-20-8-4-2-5-9-20/h2,4-5,8-9,12-17,22H,3,6-7,10-11,18H2,1H3,(H,30,32)
InChIKey
DPMVUMGIAYFXQO-UHFFFAOYSA-N
Compound name
N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

440.22122 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.228496 207.2
[M+Na]+ 463.210438 211.9
[M-H]- 439.213944 216.1
[M+NH4]+ 458.255043 213.5
[M+K]+ 479.184378 204.4
[M+H-H2O]+ 423.218480 193.7
[M+HCOO]- 485.219421 223.4
[M+CH3COO]- 499.235071 214.2
[M+Na-2H]- 461.195886 207.8
[M]+ 440.22067142 205.4
[M]- 440.22176858 205.4
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