CID 14389

Brn 2813019

Structural Information

Molecular Formula
C17H28N2O2
SMILES
CCC1=CC(=C(C=C1)OC)NC(=O)CCCN(CC)CC
InChI
InChI=1S/C17H28N2O2/c1-5-14-10-11-16(21-4)15(13-14)18-17(20)9-8-12-19(6-2)7-3/h10-11,13H,5-9,12H2,1-4H3,(H,18,20)
InChIKey
VRPIYBNDRQDWEP-UHFFFAOYSA-N
Compound name
4-(diethylamino)-N-(5-ethyl-2-methoxyphenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.2151 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.222376 174.3
[M+Na]+ 315.204318 178.5
[M-H]- 291.207824 178.5
[M+NH4]+ 310.248923 190.2
[M+K]+ 331.178258 177.0
[M+H-H2O]+ 275.212360 166.3
[M+HCOO]- 337.213301 198.3
[M+CH3COO]- 351.228951 214.4
[M+Na-2H]- 313.189766 175.3
[M]+ 292.21455142 179.0
[M]- 292.21564858 179.0
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.