CID 290667

Nsc154775

Structural Information

Molecular Formula
C12H11NO4
SMILES
COC1=CC2=C(C=C1)NC(=CCC2=O)C(=O)O
InChI
InChI=1S/C12H11NO4/c1-17-7-2-3-9-8(6-7)11(14)5-4-10(13-9)12(15)16/h2-4,6,13H,5H2,1H3,(H,15,16)
InChIKey
QINOSSIUJKIZMJ-UHFFFAOYSA-N
Compound name
7-methoxy-5-oxo-1,4-dihydro-1-benzazepine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.0688 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.076076 144.9
[M+Na]+ 256.058018 151.8
[M-H]- 232.061524 147.3
[M+NH4]+ 251.102623 160.3
[M+K]+ 272.031958 153.6
[M+H-H2O]+ 216.066060 139.5
[M+HCOO]- 278.067001 162.4
[M+CH3COO]- 292.082651 188.2
[M+Na-2H]- 254.043466 149.6
[M]+ 233.06825142 142.0
[M]- 233.06934858 142.0
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

No patent data available for this compound.