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]+ 235.107726 148.1
[M+Na]+ 257.089668 153.8
[M-H]- 233.093174 150.9
[M+NH4]+ 252.134273 163.7
[M+K]+ 273.063608 155.8
[M+H-H2O]+ 217.097710 142.0
[M+HCOO]- 279.098651 165.9
[M+CH3COO]- 293.114301 192.4
[M+Na-2H]- 255.075116 151.5
[M]+ 234.09990142 142.5
[M]- 234.10099858 142.5
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