CID 2885085

Stk222626

Structural Information

Molecular Formula
C16H16N2O4
SMILES
CC1=CC(=CC=C1)OCC(=O)NC2=C(C=C(C=C2)C)[N+](=O)[O-]
InChI
InChI=1S/C16H16N2O4/c1-11-4-3-5-13(8-11)22-10-16(19)17-14-7-6-12(2)9-15(14)18(20)21/h3-9H,10H2,1-2H3,(H,17,19)
InChIKey
CVWJFVOHTMHDHN-UHFFFAOYSA-N
Compound name
N-(4-methyl-2-nitrophenyl)-2-(3-methylphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

300.111 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.11828 167.8
[M+Na]+ 323.10022 173.5
[M-H]- 299.10372 174.7
[M+NH4]+ 318.14482 181.6
[M+K]+ 339.07416 166.6
[M+H-H2O]+ 283.10826 164.0
[M+HCOO]- 345.10920 193.0
[M+CH3COO]- 359.12485 201.0
[M+Na-2H]- 321.08567 173.0
[M]+ 300.11045 168.2
[M]- 300.11155 168.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.