CID 3025318
102446-17-3
Structural Information
- Molecular Formula
- C21H26ClNO
- SMILES
- CCCCN1CCC(C1)OC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
- InChI
- InChI=1S/C21H26ClNO/c1-2-3-14-23-15-13-20(16-23)24-21(17-7-5-4-6-8-17)18-9-11-19(22)12-10-18/h4-12,20-21H,2-3,13-16H2,1H3
- InChIKey
- LDCAVJYDEQRFHB-UHFFFAOYSA-N
- Compound name
- 1-butyl-3-[(4-chlorophenyl)-phenylmethoxy]pyrrolidine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 344.17758 | 185.3 |
[M+Na]+ | 366.15952 | 190.2 |
[M-H]- | 342.16302 | 192.3 |
[M+NH4]+ | 361.20412 | 199.3 |
[M+K]+ | 382.13346 | 183.7 |
[M+H-H2O]+ | 326.16756 | 175.8 |
[M+HCOO]- | 388.16850 | 199.7 |
[M+CH3COO]- | 402.18415 | 210.6 |
[M+Na-2H]- | 364.14497 | 183.8 |
[M]+ | 343.16975 | 186.2 |
[M]- | 343.17085 | 186.2 |
Literature stripe
No literature data available for this compound.