CID 3053275

Brn 1495829

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]+ 340.22710 184.6
[M+Na]+ 362.20904 190.1
[M-H]- 338.21254 191.1
[M+NH4]+ 357.25364 199.7
[M+K]+ 378.18298 184.6
[M+H-H2O]+ 322.21708 175.5
[M+HCOO]- 384.21802 203.2
[M+CH3COO]- 398.23367 209.3
[M+Na-2H]- 360.19449 184.6
[M]+ 339.21927 184.7
[M]- 339.22037 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.