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
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 |
Literature stripe
No literature data available for this compound.