CID 11030336

2,3,4,5-tetrahydro-1h-2-benzazepine-1,5-dione

Structural Information

Molecular Formula
C10H9NO2
SMILES
C1CNC(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C10H9NO2/c12-9-5-6-11-10(13)8-4-2-1-3-7(8)9/h1-4H,5-6H2,(H,11,13)
InChIKey
XUSNBVPDDGZEEM-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-2-benzazepine-1,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

175.06332 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 131.4
[M+Na]+ 198.05254 138.2
[M-H]- 174.05604 134.6
[M+NH4]+ 193.09714 149.6
[M+K]+ 214.02648 139.1
[M+H-H2O]+ 158.06058 126.2
[M+HCOO]- 220.06152 150.2
[M+CH3COO]- 234.07717 179.1
[M+Na-2H]- 196.03799 138.3
[M]+ 175.06277 125.7
[M]- 175.06387 125.7
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