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]+ 346.22778 189.3
[M+Na]+ 368.20972 195.5
[M-H]- 344.21322 194.8
[M+NH4]+ 363.25432 200.9
[M+K]+ 384.18366 187.4
[M+H-H2O]+ 328.21776 177.4
[M+HCOO]- 390.21870 204.1
[M+CH3COO]- 404.23435 197.7
[M+Na-2H]- 366.19517 188.4
[M]+ 345.21995 186.0
[M]- 345.22105 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.