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

compound 2d structure
3
Annotation Hits

1
References

13
Patents

268.08478 Da
Monoisotopic Mass

1.7
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe