CID 434060
Chembl123423
Structural Information
- Molecular Formula
- C17H23N5O3
- SMILES
- CCOC(=O)NC1=NC(=C(C(=C1)N(C)CC(C2=CC=CC=C2)O)N)N
- InChI
- InChI=1S/C17H23N5O3/c1-3-25-17(24)21-14-9-12(15(18)16(19)20-14)22(2)10-13(23)11-7-5-4-6-8-11/h4-9,13,23H,3,10,18H2,1-2H3,(H3,19,20,21,24)
- InChIKey
- OYAJYCKNDSXCDX-UHFFFAOYSA-N
- Compound name
- ethyl N-[5,6-diamino-4-[(2-hydroxy-2-phenylethyl)-methylamino]pyridin-2-yl]carbamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 346.18736 | 182.3 |
[M+Na]+ | 368.16930 | 186.1 |
[M-H]- | 344.17280 | 187.0 |
[M+NH4]+ | 363.21390 | 192.3 |
[M+K]+ | 384.14324 | 184.1 |
[M+H-H2O]+ | 328.17734 | 172.4 |
[M+HCOO]- | 390.17828 | 205.0 |
[M+CH3COO]- | 404.19393 | 223.9 |
[M+Na-2H]- | 366.15475 | 183.1 |
[M]+ | 345.17953 | 180.9 |
[M]- | 345.18063 | 180.9 |