CID 3067791

Cm 40216

Structural Information

Molecular Formula
C16H32N2O2
SMILES
CCCC(=O)NCCCC(=O)N(C(C)CC)C(C)CC
InChI
InChI=1S/C16H32N2O2/c1-6-10-15(19)17-12-9-11-16(20)18(13(4)7-2)14(5)8-3/h13-14H,6-12H2,1-5H3,(H,17,19)
InChIKey
JXYPYSQAEGBVMS-UHFFFAOYSA-N
Compound name
4-(butanoylamino)-N,N-di(butan-2-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.24637 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.253646 178.3
[M+Na]+ 307.235588 179.7
[M-H]- 283.239094 178.6
[M+NH4]+ 302.280193 194.1
[M+K]+ 323.209528 180.0
[M+H-H2O]+ 267.243630 171.2
[M+HCOO]- 329.244571 198.3
[M+CH3COO]- 343.260221 214.8
[M+Na-2H]- 305.221036 174.7
[M]+ 284.24582142 181.8
[M]- 284.24691858 181.8
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.