CID 3892677

Benzamide, n,n'-(oxydi-4,1-phenylene)bis[3-nitro-

Structural Information

Molecular Formula
C26H18N4O7
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C26H18N4O7/c31-25(17-3-1-5-21(15-17)29(33)34)27-19-7-11-23(12-8-19)37-24-13-9-20(10-14-24)28-26(32)18-4-2-6-22(16-18)30(35)36/h1-16H,(H,27,31)(H,28,32)
InChIKey
QJBXLWSXFIFIBS-UHFFFAOYSA-N
Compound name
3-nitro-N-[4-[4-[(3-nitrobenzoyl)amino]phenoxy]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

498.11755 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.12483 213.0
[M+Na]+ 521.10677 211.6
[M-H]- 497.11027 223.8
[M+NH4]+ 516.15137 214.4
[M+K]+ 537.08071 200.3
[M+H-H2O]+ 481.11481 208.1
[M+HCOO]- 543.11575 235.9
[M+CH3COO]- 557.13140 231.6
[M+Na-2H]- 519.09222 219.1
[M]+ 498.11700 208.5
[M]- 498.11810 208.5
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

patents stripe