CID 4220093

8-methoxy-2,3-dihydro-1h-3-benzazepin-2-one

Structural Information

Molecular Formula
C11H11NO2
SMILES
COC1=CC2=C(C=C1)C=CNC(=O)C2
InChI
InChI=1S/C11H11NO2/c1-14-10-3-2-8-4-5-12-11(13)7-9(8)6-10/h2-6H,7H2,1H3,(H,12,13)
InChIKey
OQNNFDKEVAURGV-UHFFFAOYSA-N
Compound name
8-methoxy-1,3-dihydro-3-benzazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

81
Patents

189.07898 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.086256 135.6
[M+Na]+ 212.068198 142.7
[M-H]- 188.071704 138.9
[M+NH4]+ 207.112803 153.4
[M+K]+ 228.042138 143.8
[M+H-H2O]+ 172.076240 130.3
[M+HCOO]- 234.077181 155.3
[M+CH3COO]- 248.092831 182.4
[M+Na-2H]- 210.053646 142.9
[M]+ 189.07843142 132.2
[M]- 189.07952858 132.2
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