CID 34173

Brn 1498895

Structural Information

Molecular Formula
C24H31NO2
SMILES
CCCC1(CCN(C1)CCCC(=O)C2=CC=CC=C2)C3=CC(=CC=C3)OC
InChI
InChI=1S/C24H31NO2/c1-3-14-24(21-11-7-12-22(18-21)27-2)15-17-25(19-24)16-8-13-23(26)20-9-5-4-6-10-20/h4-7,9-12,18H,3,8,13-17,19H2,1-2H3
InChIKey
CGAZMKQGRXCIPW-UHFFFAOYSA-N
Compound name
4-[3-(3-methoxyphenyl)-3-propylpyrrolidin-1-yl]-1-phenylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.23547 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.24275 192.9
[M+Na]+ 388.22469 196.9
[M-H]- 364.22819 200.1
[M+NH4]+ 383.26929 207.1
[M+K]+ 404.19863 191.8
[M+H-H2O]+ 348.23273 183.1
[M+HCOO]- 410.23367 211.4
[M+CH3COO]- 424.24932 216.6
[M+Na-2H]- 386.21014 191.7
[M]+ 365.23492 193.7
[M]- 365.23602 193.7
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.