CID 15958110

Schembl4707806

Structural Information

Molecular Formula
C26H25N3O2
SMILES
C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C=O)C4=CC=C(C=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C26H25N3O2/c30-17-22-15-28-29-25(21-9-5-2-6-10-21)24(16-27-26(22)29)20-11-13-23(14-12-20)31-18-19-7-3-1-4-8-19/h1,3-4,7-8,11-17,21H,2,5-6,9-10,18H2
InChIKey
ZQQPGDWCQNYENU-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

411.19467 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.20195 201.7
[M+Na]+ 434.18389 208.0
[M-H]- 410.18739 210.5
[M+NH4]+ 429.22849 209.4
[M+K]+ 450.15783 200.0
[M+H-H2O]+ 394.19193 188.1
[M+HCOO]- 456.19287 218.0
[M+CH3COO]- 470.20852 209.6
[M+Na-2H]- 432.16934 202.5
[M]+ 411.19412 200.6
[M]- 411.19522 200.6
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