CID 8044

110-30-5

Structural Information

Molecular Formula
C38H76N2O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C38H76N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(41)39-35-36-40-38(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H,39,41)(H,40,42)
InChIKey
RKISUIUJZGSLEV-UHFFFAOYSA-N
Compound name
N-[2-(octadecanoylamino)ethyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

43813
Patents

592.5907 Da
Monoisotopic Mass

15.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.59798 277.1
[M+Na]+ 615.57992 285.1
[M-H]- 591.58342 263.4
[M+NH4]+ 610.62452 275.3
[M+K]+ 631.55386 285.1
[M+H-H2O]+ 575.58796 274.6
[M+HCOO]- 637.58890 277.6
[M+CH3COO]- 651.60455 273.4
[M+Na-2H]- 613.56537 259.0
[M]+ 592.59015 272.2
[M]- 592.59125 272.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe