CID 115428

63957-42-6

Structural Information

Molecular Formula
C22H30N2O
SMILES
CC(C)CC1(CCN(C1)CCC2=CC=C(C=C2)N)C3=CC(=CC=C3)O
InChI
InChI=1S/C22H30N2O/c1-17(2)15-22(19-4-3-5-21(25)14-19)11-13-24(16-22)12-10-18-6-8-20(23)9-7-18/h3-9,14,17,25H,10-13,15-16,23H2,1-2H3
InChIKey
FSSJZQOUDVPWFT-UHFFFAOYSA-N
Compound name
3-[1-[2-(4-aminophenyl)ethyl]-3-(2-methylpropyl)pyrrolidin-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.2358 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.24308 186.3
[M+Na]+ 361.22502 197.7
[M+NH4]+ 356.26962 195.3
[M+K]+ 377.19896 189.8
[M-H]- 337.22852 191.8
[M+Na-2H]- 359.21047 194.6
[M]+ 338.23525 189.5
[M]- 338.23635 189.5
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.