CID 16072597
Chembl3622460
Structural Information
- Molecular Formula
- C22H22N4O6
- SMILES
- C1=C2C=C(NC2=CC(=C1O)O)C(=O)NCCCCNC(=O)C3=CC4=CC(=C(C=C4N3)O)O
- InChI
- InChI=1S/C22H22N4O6/c27-17-7-11-5-15(25-13(11)9-19(17)29)21(31)23-3-1-2-4-24-22(32)16-6-12-8-18(28)20(30)10-14(12)26-16/h5-10,25-30H,1-4H2,(H,23,31)(H,24,32)
- InChIKey
- TYRJRBAMVHMUTQ-UHFFFAOYSA-N
- Compound name
- N-[4-[(5,6-dihydroxy-1H-indole-2-carbonyl)amino]butyl]-5,6-dihydroxy-1H-indole-2-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 439.16121 | 196.8 |
[M+Na]+ | 461.14315 | 203.1 |
[M-H]- | 437.14665 | 197.6 |
[M+NH4]+ | 456.18775 | 204.7 |
[M+K]+ | 477.11709 | 197.3 |
[M+H-H2O]+ | 421.15119 | 189.9 |
[M+HCOO]- | 483.15213 | 212.0 |
[M+CH3COO]- | 497.16778 | 223.9 |
[M+Na-2H]- | 459.12860 | 197.2 |
[M]+ | 438.15338 | 198.1 |
[M]- | 438.15448 | 198.1 |
Literature stripe
Patent stripe
No patent data available for this compound.