CID 30188
Brn 2191477
Structural Information
- Molecular Formula
- C16H20N10OS
- SMILES
- C1=CC(=CC=C1N=C(N)N=C(N)N)S(=O)C2=CC=C(C=C2)N=C(N)N=C(N)N
- InChI
- InChI=1S/C16H20N10OS/c17-13(18)25-15(21)23-9-1-5-11(6-2-9)28(27)12-7-3-10(4-8-12)24-16(22)26-14(19)20/h1-8H,(H6,17,18,21,23,25)(H6,19,20,22,24,26)
- InChIKey
- IJAWTDQVPNDEKB-UHFFFAOYSA-N
- Compound name
- 2-[4-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]sulfinylphenyl]-1-(diaminomethylidene)guanidine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 401.16152 | 188.4 |
[M+Na]+ | 423.14346 | 189.5 |
[M-H]- | 399.14696 | 196.6 |
[M+NH4]+ | 418.18806 | 196.9 |
[M+K]+ | 439.11740 | 187.9 |
[M+H-H2O]+ | 383.15150 | 176.6 |
[M+HCOO]- | 445.15244 | 213.6 |
[M+CH3COO]- | 459.16809 | 251.7 |
[M+Na-2H]- | 421.12891 | 188.2 |
[M]+ | 400.15369 | 180.2 |
[M]- | 400.15479 | 180.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.