CID 53944

C 3164

Structural Information

Molecular Formula
C16H26N2O
SMILES
CCCCN(C1=C(C=CC=C1C)C)C(=O)CNCC
InChI
InChI=1S/C16H26N2O/c1-5-7-11-18(15(19)12-17-6-2)16-13(3)9-8-10-14(16)4/h8-10,17H,5-7,11-12H2,1-4H3
InChIKey
ZUXOMMJSIQOKBS-UHFFFAOYSA-N
Compound name
N-butyl-N-(2,6-dimethylphenyl)-2-(ethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.2045 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.21178 166.6
[M+Na]+ 285.19372 171.4
[M-H]- 261.19722 171.1
[M+NH4]+ 280.23832 183.8
[M+K]+ 301.16766 169.6
[M+H-H2O]+ 245.20176 159.1
[M+HCOO]- 307.20270 190.8
[M+CH3COO]- 321.21835 209.4
[M+Na-2H]- 283.17917 168.1
[M]+ 262.20395 169.6
[M]- 262.20505 169.6
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.