CID 24209012

2-(2-methoxy-4-methylphenoxy)-n-(2-nitrophenyl)acetamide

Structural Information

Molecular Formula
C16H16N2O5
SMILES
CC1=CC(=C(C=C1)OCC(=O)NC2=CC=CC=C2[N+](=O)[O-])OC
InChI
InChI=1S/C16H16N2O5/c1-11-7-8-14(15(9-11)22-2)23-10-16(19)17-12-5-3-4-6-13(12)18(20)21/h3-9H,10H2,1-2H3,(H,17,19)
InChIKey
GHECALHGODIDSS-UHFFFAOYSA-N
Compound name
2-(2-methoxy-4-methylphenoxy)-N-(2-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.10593 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.11321 170.7
[M+Na]+ 339.09515 176.1
[M-H]- 315.09865 177.6
[M+NH4]+ 334.13975 183.7
[M+K]+ 355.06909 169.9
[M+H-H2O]+ 299.10319 166.6
[M+HCOO]- 361.10413 196.1
[M+CH3COO]- 375.11978 203.2
[M+Na-2H]- 337.08060 176.1
[M]+ 316.10538 172.4
[M]- 316.10648 172.4
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.