CID 24892807

Carbamazepine-o-quinone

Structural Information

Molecular Formula
C15H10N2O3
SMILES
C1=CC=C2C(=C1)C=CC3=CC(=O)C(=O)C=C3N2C(=O)N
InChI
InChI=1S/C15H10N2O3/c16-15(20)17-11-4-2-1-3-9(11)5-6-10-7-13(18)14(19)8-12(10)17/h1-8H,(H2,16,20)
InChIKey
GONNJNYLBPEEPH-UHFFFAOYSA-N
Compound name
2,3-dioxobenzo[b][1]benzazepine-11-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

13
Patents

266.06915 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.07643 155.5
[M+Na]+ 289.05837 166.1
[M-H]- 265.06187 162.0
[M+NH4]+ 284.10297 172.0
[M+K]+ 305.03231 166.6
[M+H-H2O]+ 249.06641 149.6
[M+HCOO]- 311.06735 177.8
[M+CH3COO]- 325.08300 168.4
[M+Na-2H]- 287.04382 163.0
[M]+ 266.06860 155.5
[M]- 266.06970 155.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe