CID 16039

69440-52-4

Structural Information

Molecular Formula
C22H30N2O
SMILES
CCCC1(CCN(C1)CCC2=CC=C(C=C2)N)C3=CC(=CC=C3)OC
InChI
InChI=1S/C22H30N2O/c1-3-12-22(19-5-4-6-21(16-19)25-2)13-15-24(17-22)14-11-18-7-9-20(23)10-8-18/h4-10,16H,3,11-15,17,23H2,1-2H3
InChIKey
ATBMEZMUEUHJRE-UHFFFAOYSA-N
Compound name
4-[2-[3-(3-methoxyphenyl)-3-propylpyrrolidin-1-yl]ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 184.7
[M+Na]+ 361.225018 189.9
[M-H]- 337.228524 192.0
[M+NH4]+ 356.269623 200.0
[M+K]+ 377.198958 184.2
[M+H-H2O]+ 321.233060 175.2
[M+HCOO]- 383.234001 205.1
[M+CH3COO]- 397.249651 214.1
[M+Na-2H]- 359.210466 184.7
[M]+ 338.23525142 183.6
[M]- 338.23634858 183.6
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.