CID 54699153

108993-98-2

Structural Information

Molecular Formula
C13H13NO4
SMILES
CCOC(=O)C1=C(C2=CC=CC=C2NC(=O)C1)O
InChI
InChI=1S/C13H13NO4/c1-2-18-13(17)9-7-11(15)14-10-6-4-3-5-8(10)12(9)16/h3-6,16H,2,7H2,1H3,(H,14,15)
InChIKey
PLGDATYQXDDDLF-UHFFFAOYSA-N
Compound name
ethyl 5-hydroxy-2-oxo-1,3-dihydro-1-benzazepine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

16
Patents

247.08446 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.09174 150.5
[M+Na]+ 270.07368 160.1
[M+NH4]+ 265.11828 156.0
[M+K]+ 286.04762 157.0
[M-H]- 246.07718 150.0
[M+Na-2H]- 268.05913 154.1
[M]+ 247.08391 151.5
[M]- 247.08501 151.5
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