CID 4288285

2-methyl-n-{3-[(2-methyl-5-nitrobenzoyl)amino]phenyl}-5-nitrobenzamide

Structural Information

Molecular Formula
C22H18N4O6
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C
InChI
InChI=1S/C22H18N4O6/c1-13-6-8-17(25(29)30)11-19(13)21(27)23-15-4-3-5-16(10-15)24-22(28)20-12-18(26(31)32)9-7-14(20)2/h3-12H,1-2H3,(H,23,27)(H,24,28)
InChIKey
ZHMCHBUZSKDJOH-UHFFFAOYSA-N
Compound name
2-methyl-N-[3-[(2-methyl-5-nitrobenzoyl)amino]phenyl]-5-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.12262 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.12990 199.9
[M+Na]+ 457.11184 201.4
[M-H]- 433.11534 208.8
[M+NH4]+ 452.15644 205.4
[M+K]+ 473.08578 190.0
[M+H-H2O]+ 417.11988 197.5
[M+HCOO]- 479.12082 223.6
[M+CH3COO]- 493.13647 222.7
[M+Na-2H]- 455.09729 204.5
[M]+ 434.12207 196.2
[M]- 434.12317 196.2
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.