CID 88548003

Dtxsid001358822

Structural Information

Molecular Formula
C29H58N2O
SMILES
CCCCCCCC/C=C\CCCCCCCCNC(=O)CCN(CCCC)CCCC
InChI
InChI=1S/C29H58N2O/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-30-29(32)24-28-31(26-8-5-2)27-9-6-3/h15-16H,4-14,17-28H2,1-3H3,(H,30,32)/b16-15-
InChIKey
XKJTUQJXBNNGQU-NXVVXOECSA-N
Compound name
3-(dibutylamino)-N-[(Z)-octadec-9-enyl]propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

450.45493 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.46221 230.7
[M+Na]+ 473.44415 227.2
[M-H]- 449.44765 235.5
[M+NH4]+ 468.48875 246.1
[M+K]+ 489.41809 222.1
[M+H-H2O]+ 433.45219 220.9
[M+HCOO]- 495.45313 251.6
[M+CH3COO]- 509.46878 248.6
[M+Na-2H]- 471.42960 224.1
[M]+ 450.45438 239.5
[M]- 450.45548 239.5
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.