CID 3059341

Glycinamide, n-(2-benzoyl-4-nitrophenyl)-glycyl-, hydrobromide, hydrate (2:2:1)

Structural Information

Molecular Formula
C17H16N4O5
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC(=O)NC(=O)CN
InChI
InChI=1S/C17H16N4O5/c18-9-15(22)20-16(23)10-19-14-7-6-12(21(25)26)8-13(14)17(24)11-4-2-1-3-5-11/h1-8,19H,9-10,18H2,(H,20,22,23)
InChIKey
LQLSYGOPNNQERB-UHFFFAOYSA-N
Compound name
2-amino-N-[2-(2-benzoyl-4-nitroanilino)acetyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.11206 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.11934 178.1
[M+Na]+ 379.10128 180.2
[M-H]- 355.10478 183.7
[M+NH4]+ 374.14588 187.6
[M+K]+ 395.07522 173.7
[M+H-H2O]+ 339.10932 173.1
[M+HCOO]- 401.11026 202.8
[M+CH3COO]- 415.12591 213.7
[M+Na-2H]- 377.08673 181.6
[M]+ 356.11151 174.4
[M]- 356.11261 174.4
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.