CID 169437896

Procyclidine impurity

Structural Information

Molecular Formula
C34H49NO2
SMILES
C1CCC(CC1)C(CCC(CN2CCCC2)C(C3CCCCC3)(C4=CC=CC=C4)O)(C5=CC=CC=C5)O
InChI
InChI=1S/C34H49NO2/c36-33(28-15-5-1-6-16-28,29-17-7-2-8-18-29)24-23-32(27-35-25-13-14-26-35)34(37,30-19-9-3-10-20-30)31-21-11-4-12-22-31/h1,3,5-6,9-10,15-16,19-20,29,31-32,36-37H,2,4,7-8,11-14,17-18,21-27H2
InChIKey
LVNZRXPIHPIGJN-UHFFFAOYSA-N
Compound name
1,5-dicyclohexyl-1,5-diphenyl-2-(pyrrolidin-1-ylmethyl)pentane-1,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.37634 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.38362 230.8
[M+Na]+ 526.36556 238.5
[M+NH4]+ 521.41016 237.5
[M+K]+ 542.33950 232.4
[M-H]- 502.36906 237.8
[M+Na-2H]- 524.35101 237.8
[M]+ 503.37579 233.8
[M]- 503.37689 233.8
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.