CID 211199

Brn 2452748

Structural Information

Molecular Formula
C19H40N2O
SMILES
CCCCN(CCCC)CCCNC(=O)C(CCC)CCC
InChI
InChI=1S/C19H40N2O/c1-5-9-15-21(16-10-6-2)17-11-14-20-19(22)18(12-7-3)13-8-4/h18H,5-17H2,1-4H3,(H,20,22)
InChIKey
QKQHOPPKOWXBRS-UHFFFAOYSA-N
Compound name
N-[3-(dibutylamino)propyl]-2-propylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.31406 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.32134 189.8
[M+Na]+ 335.30328 189.9
[M-H]- 311.30678 189.2
[M+NH4]+ 330.34788 204.6
[M+K]+ 351.27722 188.5
[M+H-H2O]+ 295.31132 181.9
[M+HCOO]- 357.31226 210.2
[M+CH3COO]- 371.32791 221.5
[M+Na-2H]- 333.28873 186.9
[M]+ 312.31351 194.9
[M]- 312.31461 194.9
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.