CID 121562

3-(3-methoxyphenyl)-1-[2-(4-nitrophenyl)ethyl]-3-propylpyrrolidine

Structural Information

Molecular Formula
C22H28N2O3
SMILES
CCCC1(CCN(C1)CCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=CC=C3)OC
InChI
InChI=1S/C22H28N2O3/c1-3-12-22(19-5-4-6-21(16-19)27-2)13-15-23(17-22)14-11-18-7-9-20(10-8-18)24(25)26/h4-10,16H,3,11-15,17H2,1-2H3
InChIKey
IQJWZICGGPPMEA-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)-1-[2-(4-nitrophenyl)ethyl]-3-propylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

368.21 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.217276 192.1
[M+Na]+ 391.199218 195.9
[M-H]- 367.202724 199.8
[M+NH4]+ 386.243823 205.4
[M+K]+ 407.173158 187.2
[M+H-H2O]+ 351.207260 186.9
[M+HCOO]- 413.208201 212.8
[M+CH3COO]- 427.223851 211.5
[M+Na-2H]- 389.184666 194.2
[M]+ 368.20945142 191.1
[M]- 368.21054858 191.1
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

patents stripe