CID 24892806
2,3-dihydroxycarbamazepine
Structural Information
- Molecular Formula
- C15H12N2O3
- SMILES
- C1=CC=C2C(=C1)C=CC3=CC(=C(C=C3N2C(=O)N)O)O
- InChI
- InChI=1S/C15H12N2O3/c16-15(20)17-11-4-2-1-3-9(11)5-6-10-7-13(18)14(19)8-12(10)17/h1-8,18-19H,(H2,16,20)
- InChIKey
- YITIUNLDWDJVSI-UHFFFAOYSA-N
- Compound name
- 2,3-dihydroxybenzo[b][1]benzazepine-11-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 269.09206 | 157.9 |
[M+Na]+ | 291.07400 | 166.3 |
[M-H]- | 267.07750 | 161.5 |
[M+NH4]+ | 286.11860 | 173.0 |
[M+K]+ | 307.04794 | 166.7 |
[M+H-H2O]+ | 251.08204 | 152.4 |
[M+HCOO]- | 313.08298 | 175.8 |
[M+CH3COO]- | 327.09863 | 169.0 |
[M+Na-2H]- | 289.05945 | 163.8 |
[M]+ | 268.08423 | 154.6 |
[M]- | 268.08533 | 154.6 |