CID 24208947

2-(2,5-dimethylphenoxy)-n-(2-methyl-6-nitrophenyl)acetamide

Structural Information

Molecular Formula
C17H18N2O4
SMILES
CC1=CC(=C(C=C1)C)OCC(=O)NC2=C(C=CC=C2[N+](=O)[O-])C
InChI
InChI=1S/C17H18N2O4/c1-11-7-8-12(2)15(9-11)23-10-16(20)18-17-13(3)5-4-6-14(17)19(21)22/h4-9H,10H2,1-3H3,(H,18,20)
InChIKey
AAEKBOJFRNSMGF-UHFFFAOYSA-N
Compound name
2-(2,5-dimethylphenoxy)-N-(2-methyl-6-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.12665 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13393 172.4
[M+Na]+ 337.11587 178.5
[M-H]- 313.11937 179.4
[M+NH4]+ 332.16047 185.9
[M+K]+ 353.08981 171.5
[M+H-H2O]+ 297.12391 168.6
[M+HCOO]- 359.12485 197.2
[M+CH3COO]- 373.14050 205.2
[M+Na-2H]- 335.10132 176.4
[M]+ 314.12610 173.4
[M]- 314.12720 173.4
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.