CID 30223

Sa 62

Structural Information

Molecular Formula
C19H32N2O
SMILES
CCC(CC)C(=O)N(CCCN(C)C)C1=C(C=CC=C1C)C
InChI
InChI=1S/C19H32N2O/c1-7-17(8-2)19(22)21(14-10-13-20(5)6)18-15(3)11-9-12-16(18)4/h9,11-12,17H,7-8,10,13-14H2,1-6H3
InChIKey
PYKPLWGKLSNAKE-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-N-(2,6-dimethylphenyl)-2-ethylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.25146 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.25874 179.3
[M+Na]+ 327.24068 188.7
[M+NH4]+ 322.28528 186.2
[M+K]+ 343.21462 182.5
[M-H]- 303.24418 182.4
[M+Na-2H]- 325.22613 183.6
[M]+ 304.25091 181.4
[M]- 304.25201 181.4
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.