CID 44153469
71701-28-5
Structural Information
- Molecular Formula
- C21H20N4O4S
- SMILES
- CCOC1=CC=C(C=C1)N=NC2=C(C=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)O)C
- InChI
- InChI=1S/C21H20N4O4S/c1-3-29-19-10-7-16(8-11-19)22-25-21-12-9-18(13-15(21)2)24-23-17-5-4-6-20(14-17)30(26,27)28/h4-14H,3H2,1-2H3,(H,26,27,28)
- InChIKey
- GEEXBGRHYYZHOY-UHFFFAOYSA-N
- Compound name
- 3-[[4-[(4-ethoxyphenyl)diazenyl]-3-methylphenyl]diazenyl]benzenesulfonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 425.12778 | 199.8 |
[M+Na]+ | 447.10972 | 206.8 |
[M-H]- | 423.11322 | 213.5 |
[M+NH4]+ | 442.15432 | 210.5 |
[M+K]+ | 463.08366 | 202.9 |
[M+H-H2O]+ | 407.11776 | 188.2 |
[M+HCOO]- | 469.11870 | 225.9 |
[M+CH3COO]- | 483.13435 | 239.2 |
[M+Na-2H]- | 445.09517 | 206.0 |
[M]+ | 424.11995 | 206.7 |
[M]- | 424.12105 | 206.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.