CID 4168181

N-(4-methyl-3-nitrophenyl)-4-nitrobenzamide

Structural Information

Molecular Formula
C14H11N3O5
SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C14H11N3O5/c1-9-2-5-11(8-13(9)17(21)22)15-14(18)10-3-6-12(7-4-10)16(19)20/h2-8H,1H3,(H,15,18)
InChIKey
MPKBHAOGHXLSFD-UHFFFAOYSA-N
Compound name
N-(4-methyl-3-nitrophenyl)-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.0699 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.07718 165.5
[M+Na]+ 324.05912 169.9
[M-H]- 300.06262 172.1
[M+NH4]+ 319.10372 177.5
[M+K]+ 340.03306 159.3
[M+H-H2O]+ 284.06716 166.0
[M+HCOO]- 346.06810 191.1
[M+CH3COO]- 360.08375 194.9
[M+Na-2H]- 322.04457 172.8
[M]+ 301.06935 162.1
[M]- 301.07045 162.1
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.