CID 3051361

Brn 1654716

Structural Information

Molecular Formula
C20H37NO6
SMILES
CCCN(CCC)CCO[C@H]1[C@H](OC2C1OC(O2)(C)C)[C@H]3COC(O3)(C)C
InChI
InChI=1S/C20H37NO6/c1-7-9-21(10-8-2)11-12-22-16-15(14-13-23-19(3,4)25-14)24-18-17(16)26-20(5,6)27-18/h14-18H,7-13H2,1-6H3/t14-,15-,16+,17?,18?/m1/s1
InChIKey
KFLRDUPAQFZVRJ-ZGOKBZQCSA-N
Compound name
N-[2-[[(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethyl]-N-propylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.2621 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.26938 189.2
[M+Na]+ 410.25132 194.7
[M+NH4]+ 405.29592 197.2
[M+K]+ 426.22526 194.5
[M-H]- 386.25482 196.3
[M+Na-2H]- 408.23677 188.4
[M]+ 387.26155 192.1
[M]- 387.26265 192.1
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.