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]+ 237.12337 152.6
[M+Na]+ 259.10531 164.6
[M+NH4]+ 254.14991 159.6
[M+K]+ 275.07925 161.5
[M-H]- 235.10881 155.7
[M+Na-2H]- 257.09076 157.4
[M]+ 236.11554 154.9
[M]- 236.11664 154.9
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.