CID 458612

N,n'-dihexadecyloxamide

Structural Information

Molecular Formula
C34H68N2O2
SMILES
CCCCCCCCCCCCCCCCNC(=O)C(=O)NCCCCCCCCCCCCCCCC
InChI
InChI=1S/C34H68N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-33(37)34(38)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3,(H,35,37)(H,36,38)
InChIKey
ACADNGTVYPRCPL-UHFFFAOYSA-N
Compound name
N,N'-dihexadecyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

536.5281 Da
Monoisotopic Mass

14.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.53538 264.3
[M+Na]+ 559.51732 273.0
[M-H]- 535.52082 252.2
[M+NH4]+ 554.56192 262.6
[M+K]+ 575.49126 271.3
[M+H-H2O]+ 519.52536 262.2
[M+HCOO]- 581.52630 266.3
[M+CH3COO]- 595.54195 261.6
[M+Na-2H]- 557.50277 247.9
[M]+ 536.52755 259.6
[M]- 536.52865 259.6
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

patents stripe