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]+ 321.144476 169.7
[M+Na]+ 343.126418 173.5
[M-H]- 319.129924 171.4
[M+NH4]+ 338.171023 181.4
[M+K]+ 359.100358 176.6
[M+H-H2O]+ 303.134460 163.7
[M+HCOO]- 365.135401 183.4
[M+CH3COO]- 379.151051 205.7
[M+Na-2H]- 341.111866 172.0
[M]+ 320.13665142 165.6
[M]- 320.13774858 165.6
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

No patent data available for this compound.