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 320.6
[M+Na]+ 841.74802 329.7
[M-H]- 817.75152 312.9
[M+NH4]+ 836.79262 322.1
[M+K]+ 857.72196 332.8
[M+H-H2O]+ 801.75606 316.7
[M+HCOO]- 863.75700 309.7
[M+CH3COO]- 877.77265 317.4
[M+Na-2H]- 839.73347 299.0
[M]+ 818.75825 311.5
[M]- 818.75935 311.5
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