CID 200315

1507-69-3

Structural Information

Molecular Formula
C18H29NO
SMILES
CCCC1C(CCN1C)(CCC)C2=CC(=CC=C2)OC
InChI
InChI=1S/C18H29NO/c1-5-8-17-18(11-6-2,12-13-19(17)3)15-9-7-10-16(14-15)20-4/h7,9-10,14,17H,5-6,8,11-13H2,1-4H3
InChIKey
DLWJVSGWYMJZSF-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)-1-methyl-2,3-dipropylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.2249 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.23218 169.5
[M+Na]+ 298.21412 181.4
[M+NH4]+ 293.25872 179.2
[M+K]+ 314.18806 173.1
[M-H]- 274.21762 173.0
[M+Na-2H]- 296.19957 176.5
[M]+ 275.22435 172.4
[M]- 275.22545 172.4
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.