CID 23624051

Schembl5067146

Structural Information

Molecular Formula
C19H39N2O2
SMILES
CCCCCCCCCCCCCC(=O)N(CCCN(C)C)[O-]
InChI
InChI=1S/C19H39N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-16-19(22)21(23)18-15-17-20(2)3/h4-18H2,1-3H3/q-1
InChIKey
YLBNKUNVLAWFSN-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-N-oxidotetradecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

327.30115 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.308426 193.1
[M+Na]+ 350.290368 193.2
[M-H]- 326.293874 192.1
[M+NH4]+ 345.334973 207.1
[M+K]+ 366.264308 193.1
[M+H-H2O]+ 310.298410 187.1
[M+HCOO]- 372.299351 214.6
[M+CH3COO]- 386.315001 223.0
[M+Na-2H]- 348.275816 189.7
[M]+ 327.30060142 199.2
[M]- 327.30169858 199.2
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.