CID 132312874

170492-62-3

Structural Information

Molecular Formula
C16H20N2O5
SMILES
CC(C)(C)OC(=O)NC1CCC2=C(C=CC(=C2)C(=O)O)NC1=O
InChI
InChI=1S/C16H20N2O5/c1-16(2,3)23-15(22)18-12-7-4-9-8-10(14(20)21)5-6-11(9)17-13(12)19/h5-6,8,12H,4,7H2,1-3H3,(H,17,19)(H,18,22)(H,20,21)
InChIKey
WFLUUWRASKUXOU-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1372 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14448 170.7
[M+Na]+ 343.12642 176.6
[M+NH4]+ 338.17102 174.1
[M+K]+ 359.10036 175.8
[M-H]- 319.12992 168.6
[M+Na-2H]- 341.11187 171.5
[M]+ 320.13665 170.4
[M]- 320.13775 170.4
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.