CID 1482373

1,3-dihydro-7,8-dimethoxy-2h-3-benzazepin-2-one

Structural Information

Molecular Formula
C12H13NO3
SMILES
COC1=C(C=C2C=CNC(=O)CC2=C1)OC
InChI
InChI=1S/C12H13NO3/c1-15-10-5-8-3-4-13-12(14)7-9(8)6-11(10)16-2/h3-6H,7H2,1-2H3,(H,13,14)
InChIKey
CPNZASIAJKSBBH-UHFFFAOYSA-N
Compound name
7,8-dimethoxy-1,3-dihydro-3-benzazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

230
Patents

219.08954 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.096816 142.8
[M+Na]+ 242.078758 150.2
[M-H]- 218.082264 146.3
[M+NH4]+ 237.123363 159.7
[M+K]+ 258.052698 152.0
[M+H-H2O]+ 202.086800 137.2
[M+HCOO]- 264.087741 162.3
[M+CH3COO]- 278.103391 188.4
[M+Na-2H]- 240.064206 148.9
[M]+ 219.08899142 141.5
[M]- 219.09008858 141.5
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