CID 2526954

4-methyl-n-[[(4-methylbenzoyl)amino](3-nitrophenyl)methyl]benzamide

Structural Information

Molecular Formula
C23H21N3O4
SMILES
CC1=CC=C(C=C1)C(=O)NC(C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C23H21N3O4/c1-15-6-10-17(11-7-15)22(27)24-21(19-4-3-5-20(14-19)26(29)30)25-23(28)18-12-8-16(2)9-13-18/h3-14,21H,1-2H3,(H,24,27)(H,25,28)
InChIKey
KIAHWNOAOOJKRY-UHFFFAOYSA-N
Compound name
4-methyl-N-[[(4-methylbenzoyl)amino]-(3-nitrophenyl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.1532 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.16048 195.2
[M+Na]+ 426.14242 197.1
[M-H]- 402.14592 204.1
[M+NH4]+ 421.18702 203.1
[M+K]+ 442.11636 189.3
[M+H-H2O]+ 386.15046 189.0
[M+HCOO]- 448.15140 218.1
[M+CH3COO]- 462.16705 223.0
[M+Na-2H]- 424.12787 197.7
[M]+ 403.15265 192.4
[M]- 403.15375 192.4
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.