CID 15958123

1-[6-(4-benzyloxyphenyl)-7-cyclohexyl-pyrazolo[1,5-a]pyrimidin-3-yl]-n-methoxy-methanimine

Structural Information

Molecular Formula
C27H28N4O2
SMILES
CO/N=C\C1=C2N=CC(=C(N2N=C1)C3CCCCC3)C4=CC=C(C=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C27H28N4O2/c1-32-30-17-23-16-29-31-26(22-10-6-3-7-11-22)25(18-28-27(23)31)21-12-14-24(15-13-21)33-19-20-8-4-2-5-9-20/h2,4-5,8-9,12-18,22H,3,6-7,10-11,19H2,1H3/b30-17-
InChIKey
UOIFZCDDPCAPDE-LQNQUEJISA-N
Compound name
(Z)-1-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-methoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.22122 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.22850 208.2
[M+Na]+ 463.21044 213.5
[M-H]- 439.21394 218.0
[M+NH4]+ 458.25504 215.1
[M+K]+ 479.18438 206.1
[M+H-H2O]+ 423.21848 193.8
[M+HCOO]- 485.21942 226.6
[M+CH3COO]- 499.23507 215.7
[M+Na-2H]- 461.19589 209.8
[M]+ 440.22067 208.4
[M]- 440.22177 208.4
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

No patent data available for this compound.