CID 6912138

Einecs 280-035-8

Structural Information

Molecular Formula
C23H46N2O2
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NCCNCCCO
InChI
InChI=1S/C23H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23(27)25-21-20-24-19-17-22-26/h9-10,24,26H,2-8,11-22H2,1H3,(H,25,27)/b10-9-
InChIKey
GSIGXBCGJDGCOV-KTKRTIGZSA-N
Compound name
(Z)-N-[2-(3-hydroxypropylamino)ethyl]octadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.35593 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.36321 205.5
[M+Na]+ 405.34515 203.8
[M-H]- 381.34865 201.0
[M+NH4]+ 400.38975 216.0
[M+K]+ 421.31909 198.5
[M+H-H2O]+ 365.35319 196.9
[M+HCOO]- 427.35413 224.0
[M+CH3COO]- 441.36978 227.2
[M+Na-2H]- 403.33060 202.5
[M]+ 382.35538 210.2
[M]- 382.35648 210.2
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.