CID 3021795
1h-pyrrole, 1-(4-chlorophenyl)-2-methyl-5-(5,6,7,8-tetrahydro-2-naphthalenyl)-
Structural Information
- Molecular Formula
- C21H20ClN
- SMILES
- CC1=CC=C(N1C2=CC=C(C=C2)Cl)C3=CC4=C(CCCC4)C=C3
- InChI
- InChI=1S/C21H20ClN/c1-15-6-13-21(23(15)20-11-9-19(22)10-12-20)18-8-7-16-4-2-3-5-17(16)14-18/h6-14H,2-5H2,1H3
- InChIKey
- TYLJKUSPKMFAAU-UHFFFAOYSA-N
- Compound name
- 1-(4-chlorophenyl)-2-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 322.13570 | 178.4 |
[M+Na]+ | 344.11764 | 187.2 |
[M-H]- | 320.12114 | 187.2 |
[M+NH4]+ | 339.16224 | 194.9 |
[M+K]+ | 360.09158 | 178.9 |
[M+H-H2O]+ | 304.12568 | 169.3 |
[M+HCOO]- | 366.12662 | 193.3 |
[M+CH3COO]- | 380.14227 | 189.4 |
[M+Na-2H]- | 342.10309 | 179.3 |
[M]+ | 321.12787 | 178.1 |
[M]- | 321.12897 | 178.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.