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

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 190.9
[M+Na]+ 391.19922 204.1
[M+NH4]+ 386.24382 199.7
[M+K]+ 407.17316 198.0
[M-H]- 367.20272 197.4
[M+Na-2H]- 389.18467 199.6
[M]+ 368.20945 194.7
[M]- 368.21055 194.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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