CID 4118809

3-nitro-n-(2-((3-nitrobenzoyl)amino)phenyl)benzamide

Structural Information

Molecular Formula
C20H14N4O6
SMILES
C1=CC=C(C(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H14N4O6/c25-19(13-5-3-7-15(11-13)23(27)28)21-17-9-1-2-10-18(17)22-20(26)14-6-4-8-16(12-14)24(29)30/h1-12H,(H,21,25)(H,22,26)
InChIKey
LPHUJMSALIIJJN-UHFFFAOYSA-N
Compound name
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.09134 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.09862 189.6
[M+Na]+ 429.08056 190.3
[M-H]- 405.08406 198.2
[M+NH4]+ 424.12516 195.7
[M+K]+ 445.05450 179.1
[M+H-H2O]+ 389.08860 187.3
[M+HCOO]- 451.08954 214.1
[M+CH3COO]- 465.10519 214.6
[M+Na-2H]- 427.06601 196.5
[M]+ 406.09079 184.5
[M]- 406.09189 184.5
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.