CID 342731

N-(2-acetamido-4,5-dimethylphenyl)acetamide

Structural Information

Molecular Formula
C12H16N2O2
SMILES
CC1=CC(=C(C=C1C)NC(=O)C)NC(=O)C
InChI
InChI=1S/C12H16N2O2/c1-7-5-11(13-9(3)15)12(6-8(7)2)14-10(4)16/h5-6H,1-4H3,(H,13,15)(H,14,16)
InChIKey
VMOQGOAWGLCADB-UHFFFAOYSA-N
Compound name
N-(2-acetamido-4,5-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

220.12119 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 149.9
[M+Na]+ 243.11041 157.2
[M-H]- 219.11391 154.2
[M+NH4]+ 238.15501 168.4
[M+K]+ 259.08435 155.5
[M+H-H2O]+ 203.11845 143.6
[M+HCOO]- 265.11939 174.4
[M+CH3COO]- 279.13504 196.6
[M+Na-2H]- 241.09586 152.4
[M]+ 220.12064 150.6
[M]- 220.12174 150.6
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

patents stripe