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]+ 277.227426 171.3
[M+Na]+ 299.209368 175.6
[M-H]- 275.212874 175.5
[M+NH4]+ 294.253973 187.9
[M+K]+ 315.183308 173.5
[M+H-H2O]+ 259.217410 163.5
[M+HCOO]- 321.218351 195.1
[M+CH3COO]- 335.234001 212.4
[M+Na-2H]- 297.194816 172.2
[M]+ 276.21960142 174.6
[M]- 276.22069858 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.