CID 44630524

N,n,n',n'-tetrapentylmalonamide

Structural Information

Molecular Formula
C23H46N2O2
SMILES
CCCCCN(CCCCC)C(=O)CC(=O)N(CCCCC)CCCCC
InChI
InChI=1S/C23H46N2O2/c1-5-9-13-17-24(18-14-10-6-2)22(26)21-23(27)25(19-15-11-7-3)20-16-12-8-4/h5-21H2,1-4H3
InChIKey
SLCSFXNOZDNIFH-UHFFFAOYSA-N
Compound name
N,N,N',N'-tetrapentylpropanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

382.35593 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.363206 209.6
[M+Na]+ 405.345148 208.7
[M-H]- 381.348654 209.8
[M+NH4]+ 400.389753 230.5
[M+K]+ 421.319088 207.5
[M+H-H2O]+ 365.353190 200.8
[M+HCOO]- 427.354131 229.1
[M+CH3COO]- 441.369781 237.1
[M+Na-2H]- 403.330596 204.1
[M]+ 382.35538142 218.3
[M]- 382.35647858 218.3
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

patents stripe