CID 20833843

4-pentoxy-2-nitroacetanilide

Structural Information

Molecular Formula
C13H18N2O4
SMILES
CCCCCOC1=CC(=C(C=C1)NC(=O)C)[N+](=O)[O-]
InChI
InChI=1S/C13H18N2O4/c1-3-4-5-8-19-11-6-7-12(14-10(2)16)13(9-11)15(17)18/h6-7,9H,3-5,8H2,1-2H3,(H,14,16)
InChIKey
ZIIAQFOBHVUGBR-UHFFFAOYSA-N
Compound name
N-(2-nitro-4-pentoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

266.12665 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.133926 160.7
[M+Na]+ 289.115868 165.9
[M-H]- 265.119374 164.1
[M+NH4]+ 284.160473 176.2
[M+K]+ 305.089808 160.2
[M+H-H2O]+ 249.123910 158.1
[M+HCOO]- 311.124851 185.6
[M+CH3COO]- 325.140501 195.0
[M+Na-2H]- 287.101316 165.5
[M]+ 266.12610142 162.2
[M]- 266.12719858 162.2
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.