CID 904486

4-nitro-2',4',6'-trimethylbenzanilide

Structural Information

Molecular Formula
C16H16N2O3
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C
InChI
InChI=1S/C16H16N2O3/c1-10-8-11(2)15(12(3)9-10)17-16(19)13-4-6-14(7-5-13)18(20)21/h4-9H,1-3H3,(H,17,19)
InChIKey
QAJMOBAKPOPSBP-UHFFFAOYSA-N
Compound name
4-nitro-N-(2,4,6-trimethylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

284.1161 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12338 164.3
[M+Na]+ 307.10532 171.2
[M-H]- 283.10882 171.6
[M+NH4]+ 302.14992 179.2
[M+K]+ 323.07926 163.7
[M+H-H2O]+ 267.11336 161.1
[M+HCOO]- 329.11430 189.4
[M+CH3COO]- 343.12995 200.1
[M+Na-2H]- 305.09077 168.7
[M]+ 284.11555 163.7
[M]- 284.11665 163.7
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

patents stripe