CID 6912291

2h-pyrazolo(4,3-c)pyridine, 3,3a,4,5,6,7-hexahydro-5-methyl-5-phenyl-7-(phenylmethylene)-2-propyl-, phosphate, hydrate (1:1:1)

Structural Information

Molecular Formula
C23H27N3
SMILES
CCCN1C(C2CN(C/C(=C\C3=CC=CC=C3)/C2=N1)C)C4=CC=CC=C4
InChI
InChI=1S/C23H27N3/c1-3-14-26-23(19-12-8-5-9-13-19)21-17-25(2)16-20(22(21)24-26)15-18-10-6-4-7-11-18/h4-13,15,21,23H,3,14,16-17H2,1-2H3/b20-15+
InChIKey
UVBNYVYRLVXIFP-HMMYKYKNSA-N
Compound name
(7E)-7-benzylidene-5-methyl-3-phenyl-2-propyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

345.2205 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.227776 189.3
[M+Na]+ 368.209718 195.5
[M-H]- 344.213224 194.8
[M+NH4]+ 363.254323 200.9
[M+K]+ 384.183658 187.4
[M+H-H2O]+ 328.217760 177.4
[M+HCOO]- 390.218701 204.1
[M+CH3COO]- 404.234351 197.7
[M+Na-2H]- 366.195166 188.4
[M]+ 345.21995142 186.0
[M]- 345.22104858 186.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.