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]+ 339.243076 185.2
[M+Na]+ 361.225018 189.6
[M-H]- 337.228524 191.3
[M+NH4]+ 356.269623 199.8
[M+K]+ 377.198958 183.8
[M+H-H2O]+ 321.233060 176.4
[M+HCOO]- 383.234001 203.1
[M+CH3COO]- 397.249651 212.6
[M+Na-2H]- 359.210466 183.7
[M]+ 338.23525142 181.7
[M]- 338.23634858 181.7
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.