CID 3712479

4-nitro-n-(2-((4-nitrobenzoyl)amino)propyl)benzamide

Structural Information

Molecular Formula
C17H16N4O6
SMILES
CC(CNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C17H16N4O6/c1-11(19-17(23)13-4-8-15(9-5-13)21(26)27)10-18-16(22)12-2-6-14(7-3-12)20(24)25/h2-9,11H,10H2,1H3,(H,18,22)(H,19,23)
InChIKey
JRINMZUBOOCAEO-UHFFFAOYSA-N
Compound name
4-nitro-N-[2-[(4-nitrobenzoyl)amino]propyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.107 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.11428 181.7
[M+Na]+ 395.09622 182.4
[M-H]- 371.09972 187.3
[M+NH4]+ 390.14082 189.8
[M+K]+ 411.07016 172.5
[M+H-H2O]+ 355.10426 181.1
[M+HCOO]- 417.10520 205.6
[M+CH3COO]- 431.12085 208.9
[M+Na-2H]- 393.08167 187.1
[M]+ 372.10645 177.3
[M]- 372.10755 177.3
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.