CID 6437912

Octadecenylsuccinic triethanolamide

Structural Information

Molecular Formula
C34H66N2O8
SMILES
CCCCCCCC/C=C/CCCCCCCCC(CC(=O)OCCN(CCO)CCO)C(=O)OCCN(CCO)CCO
InChI
InChI=1S/C34H66N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-32(34(42)44-30-24-36(21-27-39)22-28-40)31-33(41)43-29-23-35(19-25-37)20-26-38/h9-10,32,37-40H,2-8,11-31H2,1H3/b10-9+
InChIKey
FQCXDJFUGDEDEN-MDZDMXLPSA-N
Compound name
bis[2-[bis(2-hydroxyethyl)amino]ethyl] 2-[(E)-octadec-9-enyl]butanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

630.48193 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 631.48921 267.1
[M+Na]+ 653.47115 272.7
[M-H]- 629.47465 263.1
[M+NH4]+ 648.51575 270.4
[M+K]+ 669.44509 271.9
[M+H-H2O]+ 613.47919 265.6
[M+HCOO]- 675.48013 259.6
[M+CH3COO]- 689.49578 269.3
[M+Na-2H]- 651.45660 249.9
[M]+ 630.48138 261.1
[M]- 630.48248 261.1
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.