CID 89572455

Unii-lup8uk786b

Structural Information

Molecular Formula
C30H60N2O3
SMILES
CCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCC(CCCCCC)O
InChI
InChI=1S/C30H60N2O3/c1-3-5-7-9-12-16-20-24-29(34)31-26-27-32-30(35)25-21-17-14-11-10-13-15-19-23-28(33)22-18-8-6-4-2/h28,33H,3-27H2,1-2H3,(H,31,34)(H,32,35)
InChIKey
GQWNQYFZCNNYOI-UHFFFAOYSA-N
Compound name
N-[2-(decanoylamino)ethyl]-12-hydroxyoctadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

496.4604 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.46768 249.0
[M+Na]+ 519.44962 257.3
[M-H]- 495.45312 240.1
[M+NH4]+ 514.49422 247.5
[M+K]+ 535.42356 254.6
[M+H-H2O]+ 479.45766 247.0
[M+HCOO]- 541.45860 248.5
[M+CH3COO]- 555.47425 250.9
[M+Na-2H]- 517.43507 234.0
[M]+ 496.45985 243.4
[M]- 496.46095 243.4
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