CID 121562

3-(m-methoxyphenyl)-1-(p-nitrophenethyl)-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

0
Patents

368.21 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.21728 192.1
[M+Na]+ 391.19922 195.9
[M-H]- 367.20272 199.8
[M+NH4]+ 386.24382 205.4
[M+K]+ 407.17316 187.2
[M+H-H2O]+ 351.20726 186.9
[M+HCOO]- 413.20820 212.8
[M+CH3COO]- 427.22385 211.5
[M+Na-2H]- 389.18467 194.2
[M]+ 368.20945 191.1
[M]- 368.21055 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