CID 86086

N2-benzyl tert-butyl n2-carboxy-l-2-aminoglutaramate

Structural Information

Molecular Formula
C17H24N2O5
SMILES
CC(C)(C)OC(=O)C(CCC(=O)N)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C17H24N2O5/c1-17(2,3)24-15(21)13(9-10-14(18)20)19-16(22)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H2,18,20)(H,19,22)
InChIKey
UCFPQVRNAZMYMC-UHFFFAOYSA-N
Compound name
tert-butyl 5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.16852 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.175796 180.7
[M+Na]+ 359.157738 182.9
[M-H]- 335.161244 182.8
[M+NH4]+ 354.202343 192.9
[M+K]+ 375.131678 182.6
[M+H-H2O]+ 319.165780 173.1
[M+HCOO]- 381.166721 200.2
[M+CH3COO]- 395.182371 213.8
[M+Na-2H]- 357.143186 180.6
[M]+ 336.16797142 182.6
[M]- 336.16906858 182.6
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.