CID 12646

Brn 2697685

Structural Information

Molecular Formula
C17H28N2O
SMILES
CCC1=CC(=C(C=C1)C)NC(=O)CCCN(CC)CC
InChI
InChI=1S/C17H28N2O/c1-5-15-11-10-14(4)16(13-15)18-17(20)9-8-12-19(6-2)7-3/h10-11,13H,5-9,12H2,1-4H3,(H,18,20)
InChIKey
MGSSLGIJMIIIJK-UHFFFAOYSA-N
Compound name
4-(diethylamino)-N-(5-ethyl-2-methylphenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.22015 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.22743 171.3
[M+Na]+ 299.20937 175.6
[M-H]- 275.21287 175.5
[M+NH4]+ 294.25397 187.9
[M+K]+ 315.18331 173.5
[M+H-H2O]+ 259.21741 163.5
[M+HCOO]- 321.21835 195.1
[M+CH3COO]- 335.23400 212.4
[M+Na-2H]- 297.19482 172.2
[M]+ 276.21960 174.6
[M]- 276.22070 174.6
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.