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]+ 404.160476 195.2
[M+Na]+ 426.142418 197.1
[M-H]- 402.145924 204.1
[M+NH4]+ 421.187023 203.1
[M+K]+ 442.116358 189.3
[M+H-H2O]+ 386.150460 189.0
[M+HCOO]- 448.151401 218.1
[M+CH3COO]- 462.167051 223.0
[M+Na-2H]- 424.127866 197.7
[M]+ 403.15265142 192.4
[M]- 403.15374858 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.