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

9
Patents

382.35593 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.36321 209.6
[M+Na]+ 405.34515 208.7
[M-H]- 381.34865 209.8
[M+NH4]+ 400.38975 230.5
[M+K]+ 421.31909 207.5
[M+H-H2O]+ 365.35319 200.8
[M+HCOO]- 427.35413 229.1
[M+CH3COO]- 441.36978 237.1
[M+Na-2H]- 403.33060 204.1
[M]+ 382.35538 218.3
[M]- 382.35648 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