CID 3051365

Brn 1668731

Structural Information

Molecular Formula
C28H37NO6
SMILES
CC1(OC[C@@H](O1)[C@@H]2[C@@H](C3C(O2)OC(O3)(C)C)OCCN(CC4=CC=CC=C4)CC5=CC=CC=C5)C
InChI
InChI=1S/C28H37NO6/c1-27(2)31-19-22(33-27)23-24(25-26(32-23)35-28(3,4)34-25)30-16-15-29(17-20-11-7-5-8-12-20)18-21-13-9-6-10-14-21/h5-14,22-26H,15-19H2,1-4H3/t22-,23-,24+,25?,26?/m1/s1
InChIKey
CGNOTYOIVDTGPX-SXKBUZGKSA-N
Compound name
N,N-dibenzyl-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]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.2621 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.26938 210.5
[M+Na]+ 506.25132 220.2
[M+NH4]+ 501.29592 219.6
[M+K]+ 522.22526 217.5
[M-H]- 482.25482 223.0
[M+Na-2H]- 504.23677 215.1
[M]+ 483.26155 215.8
[M]- 483.26265 215.8
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.