CID 5275350

3-(dodecylamino)-3-[(6r)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol

Structural Information

Molecular Formula
C23H45NO5
SMILES
CCCCCCCCCCCCNC(CCO)C1[C@H](C2C(O1)OC(O2)(C)C)OC
InChI
InChI=1S/C23H45NO5/c1-5-6-7-8-9-10-11-12-13-14-16-24-18(15-17-25)19-20(26-4)21-22(27-19)29-23(2,3)28-21/h18-22,24-25H,5-17H2,1-4H3/t18?,19?,20-,21?,22?/m1/s1
InChIKey
YVCCQRZXOBIMCM-FJAZMMRPSA-N
Compound name
3-(dodecylamino)-3-[(6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

415.32977 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.33705 210.5
[M+Na]+ 438.31899 211.6
[M-H]- 414.32249 213.0
[M+NH4]+ 433.36359 222.7
[M+K]+ 454.29293 211.3
[M+H-H2O]+ 398.32703 205.8
[M+HCOO]- 460.32797 223.5
[M+CH3COO]- 474.34362 228.8
[M+Na-2H]- 436.30444 208.1
[M]+ 415.32922 218.4
[M]- 415.33032 218.4
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.