CID 803336

N-(2-isopropylphenyl)-2-methyl-3-nitrobenzamide

Structural Information

Molecular Formula
C17H18N2O3
SMILES
CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=CC=C2C(C)C
InChI
InChI=1S/C17H18N2O3/c1-11(2)13-7-4-5-9-15(13)18-17(20)14-8-6-10-16(12(14)3)19(21)22/h4-11H,1-3H3,(H,18,20)
InChIKey
MMLQMIOROXRJSU-UHFFFAOYSA-N
Compound name
2-methyl-3-nitro-N-(2-propan-2-ylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.13174 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.13902 168.9
[M+Na]+ 321.12096 174.1
[M-H]- 297.12446 175.7
[M+NH4]+ 316.16556 182.8
[M+K]+ 337.09490 167.0
[M+H-H2O]+ 281.12900 165.4
[M+HCOO]- 343.12994 192.7
[M+CH3COO]- 357.14559 202.7
[M+Na-2H]- 319.10641 172.3
[M]+ 298.13119 167.6
[M]- 298.13229 167.6
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.