CID 54024

77985-21-8

Structural Information

Molecular Formula
C16H26N2O
SMILES
CCN(CC)C(C)CC(=O)NC1=C(C=CC=C1C)C
InChI
InChI=1S/C16H26N2O/c1-6-18(7-2)14(5)11-15(19)17-16-12(3)9-8-10-13(16)4/h8-10,14H,6-7,11H2,1-5H3,(H,17,19)
InChIKey
NBDUXDIBNNNPKZ-UHFFFAOYSA-N
Compound name
3-(diethylamino)-N-(2,6-dimethylphenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.2045 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.21178 166.9
[M+Na]+ 285.19372 171.4
[M-H]- 261.19722 171.5
[M+NH4]+ 280.23832 184.0
[M+K]+ 301.16766 170.1
[M+H-H2O]+ 245.20176 159.5
[M+HCOO]- 307.20270 190.0
[M+CH3COO]- 321.21835 210.3
[M+Na-2H]- 283.17917 167.2
[M]+ 262.20395 169.2
[M]- 262.20505 169.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.