CID 2724178

7148-24-5

Structural Information

Molecular Formula
C16H20N2O7
SMILES
CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C16H20N2O7/c1-3-24-14(19)10-9-13(16(21)25-4-2)17-15(20)11-5-7-12(8-6-11)18(22)23/h5-8,13H,3-4,9-10H2,1-2H3,(H,17,20)/t13-/m0/s1
InChIKey
OTQQWHKIMACEHP-ZDUSSCGKSA-N
Compound name
diethyl (2S)-2-[(4-nitrobenzoyl)amino]pentanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

352.12704 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.134316 180.1
[M+Na]+ 375.116258 182.5
[M-H]- 351.119764 182.7
[M+NH4]+ 370.160863 191.1
[M+K]+ 391.090198 178.4
[M+H-H2O]+ 335.124300 176.6
[M+HCOO]- 397.125241 202.0
[M+CH3COO]- 411.140891 208.1
[M+Na-2H]- 373.101706 181.2
[M]+ 352.12649142 182.8
[M]- 352.12758858 182.8
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

patents stripe