CID 710946

N-(4-bromo-2-methylphenyl)-3-methyl-4-nitrobenzamide

Structural Information

Molecular Formula
C15H13BrN2O3
SMILES
CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)Br)C)[N+](=O)[O-]
InChI
InChI=1S/C15H13BrN2O3/c1-9-8-12(16)4-5-13(9)17-15(19)11-3-6-14(18(20)21)10(2)7-11/h3-8H,1-2H3,(H,17,19)
InChIKey
CMLOWTGYZHNXQL-UHFFFAOYSA-N
Compound name
N-(4-bromo-2-methylphenyl)-3-methyl-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.01096 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.01824 171.7
[M+Na]+ 371.00018 181.2
[M-H]- 347.00368 181.0
[M+NH4]+ 366.04478 187.5
[M+K]+ 386.97412 165.6
[M+H-H2O]+ 331.00822 173.4
[M+HCOO]- 393.00916 194.1
[M+CH3COO]- 407.02481 205.9
[M+Na-2H]- 368.98563 177.0
[M]+ 348.01041 189.7
[M]- 348.01151 189.7
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.