CID 6445310

Brn 1495599

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]+ 336.23218 185.3
[M+Na]+ 358.21412 190.3
[M-H]- 334.21762 192.6
[M+NH4]+ 353.25872 201.0
[M+K]+ 374.18806 184.2
[M+H-H2O]+ 318.22216 175.6
[M+HCOO]- 380.22310 205.1
[M+CH3COO]- 394.23875 210.2
[M+Na-2H]- 356.19957 185.6
[M]+ 335.22435 184.8
[M]- 335.22545 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.