CID 73717337

Usrsixhvnbrikz-uhfffaoysa-n

Structural Information

Molecular Formula
C36H70N2O8
SMILES
CCCCCCCCCCCCCCCCCCC=CC(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/h19-20,34,39-42H,2-18,21-33H2,1H3
InChIKey
USRSIXHVNBRIKZ-UHFFFAOYSA-N
Compound name
bis[2-[bis(2-hydroxyethyl)amino]ethyl] 2-icos-1-enylbutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

658.51324 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 659.520516 273.6
[M+Na]+ 681.502458 278.9
[M-H]- 657.505964 268.9
[M+NH4]+ 676.547063 276.9
[M+K]+ 697.476398 278.9
[M+H-H2O]+ 641.510500 271.9
[M+HCOO]- 703.511441 265.3
[M+CH3COO]- 717.527091 274.7
[M+Na-2H]- 679.487906 255.7
[M]+ 658.51269142 267.8
[M]- 658.51378858 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.