CID 3597915

Dimethyl 2-ethoxy-3h-1-benzazepine-3,4-dicarboxylate

Structural Information

Molecular Formula
C16H17NO5
SMILES
CCOC1=NC2=CC=CC=C2C=C(C1C(=O)OC)C(=O)OC
InChI
InChI=1S/C16H17NO5/c1-4-22-14-13(16(19)21-3)11(15(18)20-2)9-10-7-5-6-8-12(10)17-14/h5-9,13H,4H2,1-3H3
InChIKey
RKVVFBBDGJJQCL-UHFFFAOYSA-N
Compound name
dimethyl 2-ethoxy-3H-1-benzazepine-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1107 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.11798 164.0
[M+Na]+ 326.09992 174.3
[M+NH4]+ 321.14452 169.2
[M+K]+ 342.07386 171.0
[M-H]- 302.10342 164.0
[M+Na-2H]- 324.08537 168.2
[M]+ 303.11015 165.3
[M]- 303.11125 165.3
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

No patent data available for this compound.