CID 3013404
Schembl4763118
Structural Information
- Molecular Formula
- C22H23N5O5S
- SMILES
- CNC(=O)C1=CC=CC=C1CNC(=O)C2=C(C3=C(C=CC=N3)C(=N2)N4CCCCS4(=O)=O)O
- InChI
- InChI=1S/C22H23N5O5S/c1-23-21(29)15-8-3-2-7-14(15)13-25-22(30)18-19(28)17-16(9-6-10-24-17)20(26-18)27-11-4-5-12-33(27,31)32/h2-3,6-10,28H,4-5,11-13H2,1H3,(H,23,29)(H,25,30)
- InChIKey
- HGZPYJPZZSEFKV-UHFFFAOYSA-N
- Compound name
- 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(methylcarbamoyl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 470.14928 | 205.2 |
[M+Na]+ | 492.13122 | 210.5 |
[M-H]- | 468.13472 | 209.8 |
[M+NH4]+ | 487.17582 | 210.5 |
[M+K]+ | 508.10516 | 205.0 |
[M+H-H2O]+ | 452.13926 | 194.6 |
[M+HCOO]- | 514.14020 | 214.7 |
[M+CH3COO]- | 528.15585 | 234.8 |
[M+Na-2H]- | 490.11667 | 208.3 |
[M]+ | 469.14145 | 205.0 |
[M]- | 469.14255 | 205.0 |
Literature stripe
No literature data available for this compound.