CID 21118409

60768-10-7

Structural Information

Molecular Formula
C50H98N4O4
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C50H98N4O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-35-39-47(55)51-43-45-53-49(57)41-37-33-29-30-34-38-42-50(58)54-46-44-52-48(56)40-36-32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-46H2,1-2H3,(H,51,55)(H,52,56)(H,53,57)(H,54,58)
InChIKey
GBGSTYJNNIUWOQ-UHFFFAOYSA-N
Compound name
N,N'-bis[2-(octadecanoylamino)ethyl]decanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

818.7588 Da
Monoisotopic Mass

17.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 819.76608 320.0
[M+Na]+ 841.74802 330.0
[M+NH4]+ 836.79262 323.4
[M+K]+ 857.72196 329.0
[M-H]- 817.75152 312.3
[M+Na-2H]- 839.73347 317.9
[M]+ 818.75825 320.3
[M]- 818.75935 320.3
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