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
1
Annotation Hits

0
References

7
Patents

352.12704 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13432 177.9
[M+Na]+ 375.11626 185.4
[M+NH4]+ 370.16086 180.9
[M+K]+ 391.09020 185.6
[M-H]- 351.11976 177.5
[M+Na-2H]- 373.10171 179.2
[M]+ 352.12649 178.1
[M]- 352.12759 178.1
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