CID 213627
Brn 0501952
Structural Information
- Molecular Formula
- C29H31N3O
- SMILES
- C1CN(CCC1NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)CCC4=CNC5=CC=CC=C54
- InChI
- InChI=1S/C29H31N3O/c33-29(28(22-9-3-1-4-10-22)23-11-5-2-6-12-23)31-25-16-19-32(20-17-25)18-15-24-21-30-27-14-8-7-13-26(24)27/h1-14,21,25,28,30H,15-20H2,(H,31,33)
- InChIKey
- YHTRIBBKLPKUKS-UHFFFAOYSA-N
- Compound name
- N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-2,2-diphenylacetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 438.25398 | 205.9 |
[M+Na]+ | 460.23592 | 207.2 |
[M-H]- | 436.23942 | 213.6 |
[M+NH4]+ | 455.28052 | 212.4 |
[M+K]+ | 476.20986 | 198.7 |
[M+H-H2O]+ | 420.24396 | 193.3 |
[M+HCOO]- | 482.24490 | 220.2 |
[M+CH3COO]- | 496.26055 | 211.6 |
[M+Na-2H]- | 458.22137 | 205.5 |
[M]+ | 437.24615 | 199.8 |
[M]- | 437.24725 | 199.8 |
Literature stripe
No literature data available for this compound.