CID 203333

14176-78-4

Structural Information

Molecular Formula
C22H29NO
SMILES
CCCC1(CCN(C1)CCC2=CC=CC=C2)C3=CC(=CC=C3)OC
InChI
InChI=1S/C22H29NO/c1-3-13-22(20-10-7-11-21(17-20)24-2)14-16-23(18-22)15-12-19-8-5-4-6-9-19/h4-11,17H,3,12-16,18H2,1-2H3
InChIKey
GUNPVEYXZXMUHW-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)-1-(2-phenylethyl)-3-propylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.2249 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.23218 181.5
[M+Na]+ 346.21412 186.6
[M-H]- 322.21762 189.0
[M+NH4]+ 341.25872 197.7
[M+K]+ 362.18806 181.3
[M+H-H2O]+ 306.22216 171.9
[M+HCOO]- 368.22310 201.4
[M+CH3COO]- 382.23875 208.7
[M+Na-2H]- 344.19957 182.4
[M]+ 323.22435 181.5
[M]- 323.22545 181.5
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.