CID 19076193

2126160-02-7

Structural Information

Molecular Formula
C12H14N2O3
SMILES
COC(=O)C1=CC2=C(C=C1)NC(=O)C(CC2)N
InChI
InChI=1S/C12H14N2O3/c1-17-12(16)8-3-5-10-7(6-8)2-4-9(13)11(15)14-10/h3,5-6,9H,2,4,13H2,1H3,(H,14,15)
InChIKey
QDCZBZIEPBETFE-UHFFFAOYSA-N
Compound name
methyl 3-amino-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

234.10045 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10773 148.7
[M+Na]+ 257.08967 157.1
[M+NH4]+ 252.13427 154.5
[M+K]+ 273.06361 154.2
[M-H]- 233.09317 149.0
[M+Na-2H]- 255.07512 151.9
[M]+ 234.09990 149.6
[M]- 234.10100 149.6
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