CID 53437603

Dtxsid90701115

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CC(=O)NC1=CC=CC(=C1)C(=CN(C)C)C=O
InChI
InChI=1S/C13H16N2O2/c1-10(17)14-13-6-4-5-11(7-13)12(9-16)8-15(2)3/h4-9H,1-3H3,(H,14,17)
InChIKey
SYGBYQIOMKEFPX-UHFFFAOYSA-N
Compound name
N-[3-[1-(dimethylamino)-3-oxoprop-1-en-2-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.12119 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.128466 153.9
[M+Na]+ 255.110408 159.3
[M-H]- 231.113914 158.7
[M+NH4]+ 250.155013 171.7
[M+K]+ 271.084348 158.0
[M+H-H2O]+ 215.118450 146.7
[M+HCOO]- 277.119391 178.7
[M+CH3COO]- 291.135041 199.7
[M+Na-2H]- 253.095856 156.5
[M]+ 232.12064142 154.7
[M]- 232.12173858 154.7
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.