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]+ 273.19615 170.0
[M+Na]+ 295.17809 176.7
[M-H]- 271.18159 172.6
[M+NH4]+ 290.22269 184.5
[M+K]+ 311.15203 173.4
[M+H-H2O]+ 255.18613 156.7
[M+HCOO]- 317.18707 186.9
[M+CH3COO]- 331.20272 216.5
[M+Na-2H]- 293.16354 168.9
[M]+ 272.18832 166.1
[M]- 272.18942 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.