CID 3053109

69551-96-8

Structural Information

Molecular Formula
C23H27NO
SMILES
CCCC1(CCN(C1)C#CCC2=CC=CC=C2)C3=CC(=CC=C3)OC
InChI
InChI=1S/C23H27NO/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/h4-7,9-10,12-13,18H,3,11,14-15,17,19H2,1-2H3
InChIKey
RURWAJXSIAINNX-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)-1-(3-phenylprop-1-ynyl)-3-propylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.20926 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.21654 182.6
[M+Na]+ 356.19848 195.9
[M+NH4]+ 351.24308 188.7
[M+K]+ 372.17242 183.2
[M-H]- 332.20198 179.9
[M+Na-2H]- 354.18393 188.9
[M]+ 333.20871 183.2
[M]- 333.20981 183.2
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.