CID 6445310

27019-34-7

Structural Information

Molecular Formula
C23H29NO
SMILES
CCCC1(CCN(C1)C/C=C\C2=CC=CC=C2)C3=CC(=CC=C3)OC
InChI
InChI=1S/C23H29NO/c1-3-14-23(21-12-7-13-22(18-21)25-2)15-17-24(19-23)16-8-11-20-9-5-4-6-10-20/h4-13,18H,3,14-17,19H2,1-2H3/b11-8-
InChIKey
PAADGBRWGLRDTQ-FLIBITNWSA-N
Compound name
3-(3-methoxyphenyl)-1-[(Z)-3-phenylprop-2-enyl]-3-propylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.2249 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.232176 185.3
[M+Na]+ 358.214118 190.3
[M-H]- 334.217624 192.6
[M+NH4]+ 353.258723 201.0
[M+K]+ 374.188058 184.2
[M+H-H2O]+ 318.222160 175.6
[M+HCOO]- 380.223101 205.1
[M+CH3COO]- 394.238751 210.2
[M+Na-2H]- 356.199566 185.6
[M]+ 335.22435142 184.8
[M]- 335.22544858 184.8
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.