CID 3143286
187085-81-0
Structural Information
- Molecular Formula
- C18H19N3O
- SMILES
- C1=CC=C(C=C1)CNC(=O)C(CC2=CNC3=CC=CC=C32)N
- InChI
- InChI=1S/C18H19N3O/c19-16(18(22)21-11-13-6-2-1-3-7-13)10-14-12-20-17-9-5-4-8-15(14)17/h1-9,12,16,20H,10-11,19H2,(H,21,22)
- InChIKey
- LTLVOJXXQDFIPW-UHFFFAOYSA-N
- Compound name
- 2-amino-N-benzyl-3-(1H-indol-3-yl)propanamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 294.16008 | 167.6 |
[M+Na]+ | 316.14202 | 173.2 |
[M-H]- | 292.14552 | 172.1 |
[M+NH4]+ | 311.18662 | 182.5 |
[M+K]+ | 332.11596 | 167.3 |
[M+H-H2O]+ | 276.15006 | 159.1 |
[M+HCOO]- | 338.15100 | 189.8 |
[M+CH3COO]- | 352.16665 | 177.9 |
[M+Na-2H]- | 314.12747 | 171.8 |
[M]+ | 293.15225 | 165.3 |
[M]- | 293.15335 | 165.3 |