CID 3053275

69745-68-2

Structural Information

Molecular Formula
C22H29NO2
SMILES
CCCC1(CCN(C1)CCC2=CC=C(C=C2)OC)C3=CC(=CC=C3)O
InChI
InChI=1S/C22H29NO2/c1-3-12-22(19-5-4-6-20(24)16-19)13-15-23(17-22)14-11-18-7-9-21(25-2)10-8-18/h4-10,16,24H,3,11-15,17H2,1-2H3
InChIKey
CCIOUZSOYCOVHS-UHFFFAOYSA-N
Compound name
3-[1-[2-(4-methoxyphenyl)ethyl]-3-propylpyrrolidin-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.21982 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.227096 184.6
[M+Na]+ 362.209038 190.1
[M-H]- 338.212544 191.1
[M+NH4]+ 357.253643 199.7
[M+K]+ 378.182978 184.6
[M+H-H2O]+ 322.217080 175.5
[M+HCOO]- 384.218021 203.2
[M+CH3COO]- 398.233671 209.3
[M+Na-2H]- 360.194486 184.6
[M]+ 339.21927142 184.7
[M]- 339.22036858 184.7
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.