CID 174012
63957-60-8
Structural Information
- Molecular Formula
- C34H26N6O20S6
- SMILES
- C1=CC(=C(C=C1N=NC2=C(C3=C(C=C2)C(=CC(=C3N)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O)C=CC4=C(C=C(C=C4)N=NC5=C(C6=C(C=C5)C(=CC(=C6N)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O
- InChI
- InChI=1S/C34H26N6O20S6/c35-31-27(65(55,56)57)13-25(63(49,50)51)19-7-9-21(33(41)29(19)31)39-37-17-5-3-15(23(11-17)61(43,44)45)1-2-16-4-6-18(12-24(16)62(46,47)48)38-40-22-10-8-20-26(64(52,53)54)14-28(66(58,59)60)32(36)30(20)34(22)42/h1-14,41-42H,35-36H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)
- InChIKey
- TWBAPOAFCXPIPX-UHFFFAOYSA-N
- Compound name
- 4-amino-6-[[4-[2-[4-[(8-amino-1-hydroxy-5,7-disulfonaphthalen-2-yl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1030.9599 | 261.5 |
[M+Na]+ | 1052.9418 | 269.4 |
[M+NH4]+ | 1047.9864 | 267.0 |
[M+K]+ | 1068.9158 | 268.2 |
[M-H]- | 1028.9453 | 262.6 |
[M+Na-2H]- | 1050.9273 | 289.2 |
[M]+ | 1029.9521 | 265.6 |
[M]- | 1029.9531 | 265.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.