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 185.2
[M+Na]+ 361.22502 189.6
[M-H]- 337.22852 191.3
[M+NH4]+ 356.26962 199.8
[M+K]+ 377.19896 183.8
[M+H-H2O]+ 321.23306 176.4
[M+HCOO]- 383.23400 203.1
[M+CH3COO]- 397.24965 212.6
[M+Na-2H]- 359.21047 183.7
[M]+ 338.23525 181.7
[M]- 338.23635 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.