CID 218169
40283-94-1
Structural Information
- Molecular Formula
- C11H16N2O4S2
- SMILES
- COC1=CC=C(C=C1)CCN=C(CSS(=O)(=O)O)N
- InChI
- InChI=1S/C11H16N2O4S2/c1-17-10-4-2-9(3-5-10)6-7-13-11(12)8-18-19(14,15)16/h2-5H,6-8H2,1H3,(H2,12,13)(H,14,15,16)
- InChIKey
- VPTIXDOSBAIVCW-UHFFFAOYSA-N
- Compound name
- 1-[2-[(1-amino-2-sulfosulfanylethylidene)amino]ethyl]-4-methoxybenzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 305.06243 | 165.7 |
[M+Na]+ | 327.04437 | 171.1 |
[M-H]- | 303.04787 | 167.7 |
[M+NH4]+ | 322.08897 | 179.8 |
[M+K]+ | 343.01831 | 166.2 |
[M+H-H2O]+ | 287.05241 | 158.3 |
[M+HCOO]- | 349.05335 | 178.3 |
[M+CH3COO]- | 363.06900 | 202.4 |
[M+Na-2H]- | 325.02982 | 167.3 |
[M]+ | 304.05460 | 168.9 |
[M]- | 304.05570 | 168.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.