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

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 184.7
[M+Na]+ 361.22502 189.9
[M-H]- 337.22852 192.0
[M+NH4]+ 356.26962 200.0
[M+K]+ 377.19896 184.2
[M+H-H2O]+ 321.23306 175.2
[M+HCOO]- 383.23400 205.1
[M+CH3COO]- 397.24965 214.1
[M+Na-2H]- 359.21047 184.7
[M]+ 338.23525 183.6
[M]- 338.23635 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.