CID 204228

15960-90-4

Structural Information

Molecular Formula
C17H24N2O
SMILES
CCN(CC)C(CC#C)C(=O)NC1=C(C=CC=C1C)C
InChI
InChI=1S/C17H24N2O/c1-6-10-15(19(7-2)8-3)17(20)18-16-13(4)11-9-12-14(16)5/h1,9,11-12,15H,7-8,10H2,2-5H3,(H,18,20)
InChIKey
MGHTZXLQFILNDE-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-(2,6-dimethylphenyl)pent-4-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.18887 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.196146 170.0
[M+Na]+ 295.178088 176.7
[M-H]- 271.181594 172.6
[M+NH4]+ 290.222693 184.5
[M+K]+ 311.152028 173.4
[M+H-H2O]+ 255.186130 156.7
[M+HCOO]- 317.187071 186.9
[M+CH3COO]- 331.202721 216.5
[M+Na-2H]- 293.163536 168.9
[M]+ 272.18832142 166.1
[M]- 272.18941858 166.1
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.