CID 11970576

70708-28-0

Structural Information

Molecular Formula
C19H24N2O
SMILES
CC1=CC=C(C=C1)C(CCN2CCCC2)(C3=CC=CC=N3)O
InChI
InChI=1S/C19H24N2O/c1-16-7-9-17(10-8-16)19(22,18-6-2-3-12-20-18)11-15-21-13-4-5-14-21/h2-3,6-10,12,22H,4-5,11,13-15H2,1H3
InChIKey
LOJXVYLBLFSBBB-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

296.18887 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.19615 172.8
[M+Na]+ 319.17809 177.1
[M-H]- 295.18159 177.6
[M+NH4]+ 314.22269 185.7
[M+K]+ 335.15203 171.8
[M+H-H2O]+ 279.18613 163.2
[M+HCOO]- 341.18707 189.1
[M+CH3COO]- 355.20272 199.7
[M+Na-2H]- 317.16354 175.4
[M]+ 296.18832 169.3
[M]- 296.18942 169.3
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

patents stripe