CID 15958122

(3z)-6-(4-benzyloxyphenyl)-7-cyclohexyl-pyrazolo[1,5-a]pyrimidine-3-carbaldehyde oxime

Structural Information

Molecular Formula
C26H26N4O2
SMILES
C1CCC(CC1)C2=C(C=NC3=C(C=NN23)/C=N\O)C4=CC=C(C=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C26H26N4O2/c31-29-16-22-15-28-30-25(21-9-5-2-6-10-21)24(17-27-26(22)30)20-11-13-23(14-12-20)32-18-19-7-3-1-4-8-19/h1,3-4,7-8,11-17,21,31H,2,5-6,9-10,18H2/b29-16-
InChIKey
DCNPVBQEZGWNOO-MWLSYYOVSA-N
Compound name
(NZ)-N-[[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.20557 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.21285 203.0
[M+Na]+ 449.19479 208.5
[M-H]- 425.19829 211.9
[M+NH4]+ 444.23939 209.9
[M+K]+ 465.16873 200.6
[M+H-H2O]+ 409.20283 189.3
[M+HCOO]- 471.20377 220.5
[M+CH3COO]- 485.21942 210.5
[M+Na-2H]- 447.18024 205.0
[M]+ 426.20502 201.4
[M]- 426.20612 201.4
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.