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]+ 383.36321 209.5
[M+Na]+ 405.34515 208.0
[M-H]- 381.34865 210.1
[M+NH4]+ 400.38975 230.7
[M+K]+ 421.31909 209.0
[M+H-H2O]+ 365.35319 201.6
[M+HCOO]- 427.35413 214.0
[M+CH3COO]- 441.36978 240.4
[M+Na-2H]- 403.33060 199.3
[M]+ 382.35538 215.6
[M]- 382.35648 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.