CID 54807

4,9-dioxo-5,10-diazatetradecane

Structural Information

Molecular Formula
C12H24N2O2
SMILES
CCCCNC(=O)CCCNC(=O)CCC
InChI
InChI=1S/C12H24N2O2/c1-3-5-9-13-12(16)8-6-10-14-11(15)7-4-2/h3-10H2,1-2H3,(H,13,16)(H,14,15)
InChIKey
XINVHMDEILNBAV-UHFFFAOYSA-N
Compound name
4-(butanoylamino)-N-butylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

228.18378 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.191056 158.9
[M+Na]+ 251.172998 162.1
[M-H]- 227.176504 158.2
[M+NH4]+ 246.217603 176.4
[M+K]+ 267.146938 160.9
[M+H-H2O]+ 211.181040 152.3
[M+HCOO]- 273.181981 181.6
[M+CH3COO]- 287.197631 197.6
[M+Na-2H]- 249.158446 160.6
[M]+ 228.18323142 160.8
[M]- 228.18432858 160.8
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.