CID 15958063

Schembl14014762

Structural Information

Molecular Formula
C28H30N4O2
SMILES
CN(C)C(=O)C1=C2N=CC(=C(N2N=C1)C3CCCCC3)C4=CC=C(C=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C28H30N4O2/c1-31(2)28(33)25-18-30-32-26(22-11-7-4-8-12-22)24(17-29-27(25)32)21-13-15-23(16-14-21)34-19-20-9-5-3-6-10-20/h3,5-6,9-10,13-18,22H,4,7-8,11-12,19H2,1-2H3
InChIKey
BIWDYFKZKGYWJL-UHFFFAOYSA-N
Compound name
7-cyclohexyl-N,N-dimethyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

454.23688 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.24416 212.1
[M+Na]+ 477.22610 216.2
[M-H]- 453.22960 222.1
[M+NH4]+ 472.27070 218.2
[M+K]+ 493.20004 209.9
[M+H-H2O]+ 437.23414 198.1
[M+HCOO]- 499.23508 228.3
[M+CH3COO]- 513.25073 219.0
[M+Na-2H]- 475.21155 211.3
[M]+ 454.23633 211.7
[M]- 454.23743 211.7
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.