CID 3067797

Cm 40984

Structural Information

Molecular Formula
C18H36N2O2
SMILES
CCCCCN(CCCCC)C(=O)CCCNC(=O)CCC
InChI
InChI=1S/C18H36N2O2/c1-4-7-9-15-20(16-10-8-5-2)18(22)13-11-14-19-17(21)12-6-3/h4-16H2,1-3H3,(H,19,21)
InChIKey
LLZIYNGTNLWXMN-UHFFFAOYSA-N
Compound name
4-(butanoylamino)-N,N-dipentylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.27768 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.28496 186.6
[M+Na]+ 335.26690 187.5
[M-H]- 311.27040 186.2
[M+NH4]+ 330.31150 201.3
[M+K]+ 351.24084 186.2
[M+H-H2O]+ 295.27494 178.8
[M+HCOO]- 357.27588 207.8
[M+CH3COO]- 371.29153 219.0
[M+Na-2H]- 333.25235 184.4
[M]+ 312.27713 192.0
[M]- 312.27823 192.0
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.