CID 168300420
Ns00072766
Structural Information
- Molecular Formula
- C16H15N3O6S
- SMILES
- C1=CC2=CC(=C(N2C=C1)N/C(=C(/CS(=O)O)\C=C/C(=O)N)/C(=O)O)C=O
- InChI
- InChI=1S/C16H15N3O6S/c17-13(21)5-4-10(9-26(24)25)14(16(22)23)18-15-11(8-20)7-12-3-1-2-6-19(12)15/h1-8,18H,9H2,(H2,17,21)(H,22,23)(H,24,25)/b5-4-,14-10+
- InChIKey
- OLWZLCZTDZAGCT-RZPMEUHXSA-N
- Compound name
- (2E,4Z)-6-amino-2-[(2-formylindolizin-3-yl)amino]-6-oxo-3-(sulfinomethyl)hexa-2,4-dienoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 378.07543 | 184.1 |
[M+Na]+ | 400.05737 | 188.7 |
[M-H]- | 376.06087 | 184.1 |
[M+NH4]+ | 395.10197 | 194.8 |
[M+K]+ | 416.03131 | 184.7 |
[M+H-H2O]+ | 360.06541 | 177.2 |
[M+HCOO]- | 422.06635 | 197.2 |
[M+CH3COO]- | 436.08200 | 214.8 |
[M+Na-2H]- | 398.04282 | 181.4 |
[M]+ | 377.06760 | 186.0 |
[M]- | 377.06870 | 186.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.