CID 4362637

2',6'-diethyl-3'-nitroacetanilide

Structural Information

Molecular Formula
C12H16N2O3
SMILES
CCC1=C(C(=C(C=C1)[N+](=O)[O-])CC)NC(=O)C
InChI
InChI=1S/C12H16N2O3/c1-4-9-6-7-11(14(16)17)10(5-2)12(9)13-8(3)15/h6-7H,4-5H2,1-3H3,(H,13,15)
InChIKey
FQZYCHPZMBXHND-UHFFFAOYSA-N
Compound name
N-(2,6-diethyl-3-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.11609 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.123366 152.3
[M+Na]+ 259.105308 159.1
[M-H]- 235.108814 156.3
[M+NH4]+ 254.149913 169.5
[M+K]+ 275.079248 153.1
[M+H-H2O]+ 219.113350 150.6
[M+HCOO]- 281.114291 177.4
[M+CH3COO]- 295.129941 191.0
[M+Na-2H]- 257.090756 156.8
[M]+ 236.11554142 152.5
[M]- 236.11663858 152.5
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.