CID 169940

37599-16-9

Structural Information

Molecular Formula
C32H64N2O5
SMILES
CCCCCCCCC=CCCCCCCCC(=O)OC(C)CN(CCN(CC(C)O)CC(C)O)CC(C)O
InChI
InChI=1S/C32H64N2O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(38)39-31(5)27-34(26-30(4)37)23-22-33(24-28(2)35)25-29(3)36/h13-14,28-31,35-37H,6-12,15-27H2,1-5H3
InChIKey
QFKMMTALBTXNHD-UHFFFAOYSA-N
Compound name
1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-yl octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

556.4815 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.48878 259.5
[M+Na]+ 579.47072 265.0
[M+NH4]+ 574.51532 264.7
[M+K]+ 595.44466 262.7
[M-H]- 555.47422 255.6
[M+Na-2H]- 577.45617 261.8
[M]+ 556.48095 259.6
[M]- 556.48205 259.6
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.