CID 113006

63059-78-9

Structural Information

Molecular Formula
C38H76N2O2
SMILES
CC(C)CCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C38H76N2O2/c1-35(2)29-25-21-17-13-9-5-7-11-15-19-23-27-31-37(41)39-33-34-40-38(42)32-28-24-20-16-12-8-6-10-14-18-22-26-30-36(3)4/h35-36H,5-34H2,1-4H3,(H,39,41)(H,40,42)
InChIKey
FWXPXBWRCSMEIY-UHFFFAOYSA-N
Compound name
16-methyl-N-[2-(16-methylheptadecanoylamino)ethyl]heptadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

340
Patents

592.5907 Da
Monoisotopic Mass

15.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.59798 273.1
[M+Na]+ 615.57992 279.1
[M+NH4]+ 610.62452 274.8
[M+K]+ 631.55386 276.4
[M-H]- 591.58342 262.0
[M+Na-2H]- 613.56537 272.5
[M]+ 592.59015 271.1
[M]- 592.59125 271.1
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