CID 3721575

N,n,n',n'-tetrakis(3-methylbutyl)propanediamide

Structural Information

Molecular Formula
C23H46N2O2
SMILES
CC(C)CCN(CCC(C)C)C(=O)CC(=O)N(CCC(C)C)CCC(C)C
InChI
InChI=1S/C23H46N2O2/c1-18(2)9-13-24(14-10-19(3)4)22(26)17-23(27)25(15-11-20(5)6)16-12-21(7)8/h18-21H,9-17H2,1-8H3
InChIKey
IIOYIPDHCLBGSX-UHFFFAOYSA-N
Compound name
N,N,N',N'-tetrakis(3-methylbutyl)propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.35593 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.363206 209.5
[M+Na]+ 405.345148 208.0
[M-H]- 381.348654 210.1
[M+NH4]+ 400.389753 230.7
[M+K]+ 421.319088 209.0
[M+H-H2O]+ 365.353190 201.6
[M+HCOO]- 427.354131 214.0
[M+CH3COO]- 441.369781 240.4
[M+Na-2H]- 403.330596 199.3
[M]+ 382.35538142 215.6
[M]- 382.35647858 215.6
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.