CID 9894948
193149-74-5
Structural Information
- Molecular Formula
- C20H15N6O11S2
- SMILES
- COC1=C(C=CC(=C1)[N+](=O)[O-])[N+]2=NC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C4=C(C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O
- InChI
- InChI=1S/C20H14N6O11S2/c1-37-18-10-14(26(29)30)6-9-17(18)24-22-20(21-23(24)12-2-4-13(5-3-12)25(27)28)16-8-7-15(38(31,32)33)11-19(16)39(34,35)36/h2-11H,1H3,(H-,31,32,33,34,35,36)/p+1
- InChIKey
- HXTJSSXEGZMAEH-UHFFFAOYSA-O
- Compound name
- 4-[2-(2-methoxy-4-nitrophenyl)-3-(4-nitrophenyl)tetrazol-2-ium-5-yl]benzene-1,3-disulfonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 580.03133 | 224.9 |
[M+Na]+ | 602.01327 | 225.2 |
[M-H]- | 578.01677 | 231.2 |
[M+NH4]+ | 597.05787 | 219.9 |
[M+K]+ | 617.98721 | 207.0 |
[M+H-H2O]+ | 562.02131 | 224.7 |
[M+HCOO]- | 624.02225 | 230.3 |
[M+CH3COO]- | 638.03790 | 221.8 |
[M+Na-2H]- | 599.99872 | 240.1 |
[M]+ | 579.02350 | 220.7 |
[M]- | 579.02460 | 220.7 |
Literature stripe
No literature data available for this compound.