CID 3051362

Brn 1654837

Structural Information

Molecular Formula
C20H37NO6
SMILES
CC(C)N(CCO[C@H]1[C@H](OC2C1OC(O2)(C)C)[C@H]3COC(O3)(C)C)C(C)C
InChI
InChI=1S/C20H37NO6/c1-12(2)21(13(3)4)9-10-22-16-15(14-11-23-19(5,6)25-14)24-18-17(16)26-20(7,8)27-18/h12-18H,9-11H2,1-8H3/t14-,15-,16+,17?,18?/m1/s1
InChIKey
NOJSDQXCOUAGPS-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-propan-2-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.2621 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.26938 195.4
[M+Na]+ 410.25132 199.3
[M-H]- 386.25482 206.1
[M+NH4]+ 405.29592 210.7
[M+K]+ 426.22526 204.4
[M+H-H2O]+ 370.25936 195.5
[M+HCOO]- 432.26030 207.7
[M+CH3COO]- 446.27595 227.7
[M+Na-2H]- 408.23677 193.5
[M]+ 387.26155 203.5
[M]- 387.26265 203.5
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

No patent data available for this compound.