CID 211407
3-(o-methoxyphenoxy)-1-pyrrolidinepropanol carbanilate (ester) fumarate hydrate (2:1:1)
Structural Information
- Molecular Formula
- C21H26N2O4
- SMILES
- COC1=CC=CC=C1OC2CCN(C2)CCCOC(=O)NC3=CC=CC=C3
- InChI
- InChI=1S/C21H26N2O4/c1-25-19-10-5-6-11-20(19)27-18-12-14-23(16-18)13-7-15-26-21(24)22-17-8-3-2-4-9-17/h2-6,8-11,18H,7,12-16H2,1H3,(H,22,24)
- InChIKey
- KZFULRFCNQHRER-UHFFFAOYSA-N
- Compound name
- 3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propyl N-phenylcarbamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 371.19655 | 188.2 |
[M+Na]+ | 393.17849 | 191.2 |
[M-H]- | 369.18199 | 195.6 |
[M+NH4]+ | 388.22309 | 199.6 |
[M+K]+ | 409.15243 | 188.0 |
[M+H-H2O]+ | 353.18653 | 177.8 |
[M+HCOO]- | 415.18747 | 209.1 |
[M+CH3COO]- | 429.20312 | 216.1 |
[M+Na-2H]- | 391.16394 | 188.5 |
[M]+ | 370.18872 | 189.6 |
[M]- | 370.18982 | 189.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.