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 193.4
[M+Na]+ 410.25132 197.8
[M-H]- 386.25482 203.8
[M+NH4]+ 405.29592 208.8
[M+K]+ 426.22526 201.9
[M+H-H2O]+ 370.25936 192.8
[M+HCOO]- 432.26030 207.7
[M+CH3COO]- 446.27595 225.7
[M+Na-2H]- 408.23677 193.7
[M]+ 387.26155 202.6
[M]- 387.26265 202.6
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.