CID 26897

Brn 2132664

Structural Information

Molecular Formula
C18H30N2O
SMILES
CCCC1=CC=C(C=C1)C(CCN(C)C)(C(C)C)C(=O)N
InChI
InChI=1S/C18H30N2O/c1-6-7-15-8-10-16(11-9-15)18(14(2)3,17(19)21)12-13-20(4)5/h8-11,14H,6-7,12-13H2,1-5H3,(H2,19,21)
InChIKey
REOIWIVWJUVLOQ-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-3-methyl-2-(4-propylphenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.2358 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.243076 175.5
[M+Na]+ 313.225018 178.6
[M-H]- 289.228524 179.0
[M+NH4]+ 308.269623 190.9
[M+K]+ 329.198958 177.0
[M+H-H2O]+ 273.233060 168.2
[M+HCOO]- 335.234001 195.8
[M+CH3COO]- 349.249651 215.5
[M+Na-2H]- 311.210466 175.2
[M]+ 290.23525142 176.8
[M]- 290.23634858 176.8
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.