CID 6444358
Xanthocillin y 2
Structural Information
- Molecular Formula
- C18H12N2O4
- SMILES
- [C-]#[N+]/C(=C\C1=CC(=C(C=C1)O)O)/C(=C/C2=CC(=C(C=C2)O)O)/[N+]#[C-]
- InChI
- InChI=1S/C18H12N2O4/c1-19-13(7-11-3-5-15(21)17(23)9-11)14(20-2)8-12-4-6-16(22)18(24)10-12/h3-10,21-24H/b13-7-,14-8-
- InChIKey
- ZKYALRSZGHMWMS-PVRNWPCDSA-N
- Compound name
- 4-[(1Z,3Z)-4-(3,4-dihydroxyphenyl)-2,3-diisocyanobuta-1,3-dienyl]benzene-1,2-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 321.08698 | 202.1 |
[M+Na]+ | 343.06892 | 209.6 |
[M-H]- | 319.07242 | 201.4 |
[M+NH4]+ | 338.11352 | 207.7 |
[M+K]+ | 359.04286 | 195.4 |
[M+H-H2O]+ | 303.07696 | 193.1 |
[M+HCOO]- | 365.07790 | 207.6 |
[M+CH3COO]- | 379.09355 | 212.0 |
[M+Na-2H]- | 341.05437 | 199.1 |
[M]+ | 320.07915 | 186.9 |
[M]- | 320.08025 | 186.9 |
Literature stripe
No literature data available for this compound.