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 184.9
[M+Na]+ 356.19848 193.7
[M-H]- 332.20198 189.4
[M+NH4]+ 351.24308 198.8
[M+K]+ 372.17242 183.7
[M+H-H2O]+ 316.20652 169.4
[M+HCOO]- 378.20746 198.9
[M+CH3COO]- 392.22311 193.0
[M+Na-2H]- 354.18393 184.2
[M]+ 333.20871 178.8
[M]- 333.20981 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.