CID 94871

2,4-diacetylaminotoluene

Structural Information

Molecular Formula
C11H14N2O2
SMILES
CC1=C(C=C(C=C1)NC(=O)C)NC(=O)C
InChI
InChI=1S/C11H14N2O2/c1-7-4-5-10(12-8(2)14)6-11(7)13-9(3)15/h4-6H,1-3H3,(H,12,14)(H,13,15)
InChIKey
XAHUNQAOCGDSBW-UHFFFAOYSA-N
Compound name
N-(3-acetamido-4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

56
Patents

206.10553 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.112806 145.8
[M+Na]+ 229.094748 152.6
[M-H]- 205.098254 149.9
[M+NH4]+ 224.139353 164.4
[M+K]+ 245.068688 151.0
[M+H-H2O]+ 189.102790 139.4
[M+HCOO]- 251.103731 170.6
[M+CH3COO]- 265.119381 192.3
[M+Na-2H]- 227.080196 149.5
[M]+ 206.10498142 145.7
[M]- 206.10607858 145.7
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