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]+ 334.216536 184.9
[M+Na]+ 356.198478 193.7
[M-H]- 332.201984 189.4
[M+NH4]+ 351.243083 198.8
[M+K]+ 372.172418 183.7
[M+H-H2O]+ 316.206520 169.4
[M+HCOO]- 378.207461 198.9
[M+CH3COO]- 392.223111 193.0
[M+Na-2H]- 354.183926 184.2
[M]+ 333.20871142 178.8
[M]- 333.20980858 178.8
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.