CID 136086304
113060-12-1
Structural Information
- Molecular Formula
- C32H43N3O12S3
- SMILES
- CCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)O)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)NC(=O)C)O
- InChI
- InChI=1S/C32H43N3O12S3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-47-28-16-15-24(48(38,39)40)20-26(28)34-35-31-29(50(44,45)46)19-23-18-25(49(41,42)43)21-27(33-22(2)36)30(23)32(31)37/h15-16,18-21,37H,3-14,17H2,1-2H3,(H,33,36)(H,38,39,40)(H,41,42,43)(H,44,45,46)
- InChIKey
- OHYUWSHDSHLOMK-UHFFFAOYSA-N
- Compound name
- 5-acetamido-4-hydroxy-3-[(5-sulfo-2-tetradecoxyphenyl)diazenyl]naphthalene-2,7-disulfonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 758.20815 | 262.0 |
[M+Na]+ | 780.19009 | 257.6 |
[M-H]- | 756.19359 | 260.3 |
[M+NH4]+ | 775.23469 | 255.4 |
[M+K]+ | 796.16403 | 252.7 |
[M+H-H2O]+ | 740.19813 | 251.6 |
[M+HCOO]- | 802.19907 | 260.9 |
[M+CH3COO]- | 816.21472 | 283.0 |
[M+Na-2H]- | 778.17554 | 273.7 |
[M]+ | 757.20032 | 279.8 |
[M]- | 757.20142 | 279.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.