CID 13035292

Dioctyldodecyl lauroyl glutamate

Structural Information

Molecular Formula
C57H111NO5
SMILES
CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)OCC(CCCCCCCC)CCCCCCCCCC)C(=O)OCC(CCCCCCCC)CCCCCCCCCC
InChI
InChI=1S/C57H111NO5/c1-6-11-16-21-26-29-32-37-42-47-55(59)58-54(57(61)63-51-53(45-39-34-25-20-15-10-5)46-41-36-31-28-23-18-13-8-3)48-49-56(60)62-50-52(43-38-33-24-19-14-9-4)44-40-35-30-27-22-17-12-7-2/h52-54H,6-51H2,1-5H3,(H,58,59)/t52?,53?,54-/m0/s1
InChIKey
WLRZTBZLAQJGJP-OKTFGQEQSA-N
Compound name
bis(2-octyldodecyl) (2S)-2-(dodecanoylamino)pentanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

831
Patents

889.84625 Da
Monoisotopic Mass

24.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 890.85353 333.6
[M+Na]+ 912.83547 334.7
[M+NH4]+ 907.88007 337.4
[M+K]+ 928.80941 337.9
[M-H]- 888.83897 318.5
[M+Na-2H]- 910.82092 327.6
[M]+ 889.84570 330.8
[M]- 889.84680 330.8
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