CID 57508459

Dihexyldecyl lauroyl glutamate

Structural Information

Molecular Formula
C49H95NO5
SMILES
CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)OCC(CCCCCC)CCCCCCCC)C(=O)OCC(CCCCCC)CCCCCCCC
InChI
InChI=1S/C49H95NO5/c1-6-11-16-21-24-25-26-29-34-39-47(51)50-46(49(53)55-43-45(36-31-20-15-10-5)38-33-28-23-18-13-8-3)40-41-48(52)54-42-44(35-30-19-14-9-4)37-32-27-22-17-12-7-2/h44-46H,6-43H2,1-5H3,(H,50,51)/t44?,45?,46-/m0/s1
InChIKey
WELLEIPLAKZPQH-DZJLPJKCSA-N
Compound name
bis(2-hexyldecyl) (2S)-2-(dodecanoylamino)pentanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

777.721 Da
Monoisotopic Mass

19.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 778.72828 308.9
[M+Na]+ 800.71022 310.8
[M+NH4]+ 795.75482 312.9
[M+K]+ 816.68416 312.4
[M-H]- 776.71372 296.3
[M+Na-2H]- 798.69567 305.3
[M]+ 777.72045 306.7
[M]- 777.72155 306.7
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