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

397
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 273.9
[M+Na]+ 615.57992 283.0
[M-H]- 591.58342 263.4
[M+NH4]+ 610.62452 275.4
[M+K]+ 631.55386 284.1
[M+H-H2O]+ 575.58796 272.7
[M+HCOO]- 637.58890 269.8
[M+CH3COO]- 651.60455 274.7
[M+Na-2H]- 613.56537 257.4
[M]+ 592.59015 269.3
[M]- 592.59125 269.3
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