CID 3494509

N,n,n',n'-tetrabutylmalonamide

Structural Information

Molecular Formula
C19H38N2O2
SMILES
CCCCN(CCCC)C(=O)CC(=O)N(CCCC)CCCC
InChI
InChI=1S/C19H38N2O2/c1-5-9-13-20(14-10-6-2)18(22)17-19(23)21(15-11-7-3)16-12-8-4/h5-17H2,1-4H3
InChIKey
QTVRIQFMPJRJAK-UHFFFAOYSA-N
Compound name
N,N,N',N'-tetrabutylpropanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

452
Patents

326.29333 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.30061 191.5
[M+Na]+ 349.28255 192.3
[M-H]- 325.28605 192.5
[M+NH4]+ 344.32715 206.4
[M+K]+ 365.25649 192.1
[M+H-H2O]+ 309.29059 183.5
[M+HCOO]- 371.29153 213.0
[M+CH3COO]- 385.30718 225.4
[M+Na-2H]- 347.26800 188.1
[M]+ 326.29278 198.7
[M]- 326.29388 198.7
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