CID 3085480

71487-08-6

Structural Information

Molecular Formula
C22H40N2O9
SMILES
C1COCCN1CCC(=O)OCCOCCOCCOCCOC(=O)CCN2CCOCC2
InChI
InChI=1S/C22H40N2O9/c25-21(1-3-23-5-9-27-10-6-23)32-19-17-30-15-13-29-14-16-31-18-20-33-22(26)2-4-24-7-11-28-12-8-24/h1-20H2
InChIKey
VPUMVHRPBGQYNP-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(3-morpholin-4-ylpropanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 3-morpholin-4-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

476.27338 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.28066 212.0
[M+Na]+ 499.26260 207.9
[M-H]- 475.26610 212.8
[M+NH4]+ 494.30720 212.4
[M+K]+ 515.23654 210.4
[M+H-H2O]+ 459.27064 199.9
[M+HCOO]- 521.27158 220.6
[M+CH3COO]- 535.28723 231.2
[M+Na-2H]- 497.24805 210.5
[M]+ 476.27283 217.5
[M]- 476.27393 217.5
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