CID 4572068

N,n,n',n'-tetrabutylbutanediamide

Structural Information

Molecular Formula
C20H40N2O2
SMILES
CCCCN(CCCC)C(=O)CCC(=O)N(CCCC)CCCC
InChI
InChI=1S/C20H40N2O2/c1-5-9-15-21(16-10-6-2)19(23)13-14-20(24)22(17-11-7-3)18-12-8-4/h5-18H2,1-4H3
InChIKey
SMZNIZWMUHWNBT-UHFFFAOYSA-N
Compound name
N,N,N',N'-tetrabutylbutanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

340.309 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.31628 196.1
[M+Na]+ 363.29822 196.4
[M-H]- 339.30172 196.8
[M+NH4]+ 358.34282 210.3
[M+K]+ 379.27216 196.0
[M+H-H2O]+ 323.30626 187.8
[M+HCOO]- 385.30720 217.2
[M+CH3COO]- 399.32285 228.3
[M+Na-2H]- 361.28367 192.1
[M]+ 340.30845 203.6
[M]- 340.30955 203.6
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

patents stripe