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]+ 285.25365 178.3
[M+Na]+ 307.23559 179.7
[M-H]- 283.23909 178.6
[M+NH4]+ 302.28019 194.1
[M+K]+ 323.20953 180.0
[M+H-H2O]+ 267.24363 171.2
[M+HCOO]- 329.24457 198.3
[M+CH3COO]- 343.26022 214.8
[M+Na-2H]- 305.22104 174.7
[M]+ 284.24582 181.8
[M]- 284.24692 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.