CID 1718507

3-({4-nitrobenzoyl}amino)phenyl 4-nitrobenzoate

Structural Information

Molecular Formula
C20H13N3O7
SMILES
C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H13N3O7/c24-19(13-4-8-16(9-5-13)22(26)27)21-15-2-1-3-18(12-15)30-20(25)14-6-10-17(11-7-14)23(28)29/h1-12H,(H,21,24)
InChIKey
CHDMXHTXDKNRIV-UHFFFAOYSA-N
Compound name
[3-[(4-nitrobenzoyl)amino]phenyl] 4-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

407.07535 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.08263 191.5
[M+Na]+ 430.06457 192.9
[M-H]- 406.06807 200.3
[M+NH4]+ 425.10917 197.8
[M+K]+ 446.03851 182.2
[M+H-H2O]+ 390.07261 189.2
[M+HCOO]- 452.07355 215.2
[M+CH3COO]- 466.08920 212.0
[M+Na-2H]- 428.05002 197.7
[M]+ 407.07480 188.3
[M]- 407.07590 188.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.