CID 163289860

6-prop-2-enoyloxyhexyl 3-(2-hydroxyethyl-(3-oxo-3-(6-prop-2-enoyloxyhexoxy)propyl)amino)propanoate

Structural Information

Molecular Formula
C26H43NO9
SMILES
C=CC(=O)OCCCCCCOC(=O)CCN(CCC(=O)OCCCCCCOC(=O)C=C)CCO
InChI
InChI=1S/C26H43NO9/c1-3-23(29)33-19-9-5-7-11-21-35-25(31)13-15-27(17-18-28)16-14-26(32)36-22-12-8-6-10-20-34-24(30)4-2/h3-4,28H,1-2,5-22H2
InChIKey
ROHXSGBAEPVHPG-UHFFFAOYSA-N
Compound name
6-prop-2-enoyloxyhexyl 3-[2-hydroxyethyl-[3-oxo-3-(6-prop-2-enoyloxyhexoxy)propyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

513.29376 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.30104 232.8
[M+Na]+ 536.28298 242.1
[M-H]- 512.28648 233.5
[M+NH4]+ 531.32758 243.7
[M+K]+ 552.25692 237.6
[M+H-H2O]+ 496.29102 236.0
[M+HCOO]- 558.29196 236.5
[M+CH3COO]- 572.30761 245.6
[M+Na-2H]- 534.26843 222.3
[M]+ 513.29321 231.9
[M]- 513.29431 231.9
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