CID 87082982

Schembl240543

Structural Information

Molecular Formula
C19H39N2O2
SMILES
CCCCCCCCCCCCCCCC(=O)NCCCN[O-]
InChI
InChI=1S/C19H39N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(22)20-17-15-18-21-23/h21H,2-18H2,1H3,(H,20,22)/q-1
InChIKey
RDGUJSLFBSHZBO-UHFFFAOYSA-N
Compound name
N-[3-(oxidoamino)propyl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

732
Patents

327.30115 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.308426 190.3
[M+Na]+ 350.290368 189.9
[M-H]- 326.293874 186.2
[M+NH4]+ 345.334973 203.0
[M+K]+ 366.264308 187.1
[M+H-H2O]+ 310.298410 184.5
[M+HCOO]- 372.299351 210.8
[M+CH3COO]- 386.315001 216.2
[M+Na-2H]- 348.275816 188.6
[M]+ 327.30060142 193.9
[M]- 327.30169858 193.9
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.