CID 115845

Eicosenylsuccinic triethanolamide

Structural Information

Molecular Formula
C36H70N2O8
SMILES
CCCCCCCCCCC=CCCCCCCCCC(CC(=O)OCCN(CCO)CCO)C(=O)OCCN(CCO)CCO
InChI
InChI=1S/C36H70N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-34(36(44)46-32-26-38(23-29-41)24-30-42)33-35(43)45-31-25-37(21-27-39)22-28-40/h11-12,34,39-42H,2-10,13-33H2,1H3
InChIKey
NKYDFOQRSFLCCB-UHFFFAOYSA-N
Compound name
bis[2-[bis(2-hydroxyethyl)amino]ethyl] 2-icos-9-enylbutanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

658.51324 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 659.52052 273.6
[M+Na]+ 681.50246 278.9
[M-H]- 657.50596 268.9
[M+NH4]+ 676.54706 276.9
[M+K]+ 697.47640 278.9
[M+H-H2O]+ 641.51050 271.9
[M+HCOO]- 703.51144 265.3
[M+CH3COO]- 717.52709 274.7
[M+Na-2H]- 679.48791 255.7
[M]+ 658.51269 267.8
[M]- 658.51379 267.8
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

No patent data available for this compound.