CID 210709

21564-55-6

Structural Information

Molecular Formula
C22H27NO5
SMILES
CCN(CC)CC(C)C(C1=CC2=C(C=C1)OCO2)(C3=CC4=C(C=C3)OCO4)O
InChI
InChI=1S/C22H27NO5/c1-4-23(5-2)12-15(3)22(24,16-6-8-18-20(10-16)27-13-25-18)17-7-9-19-21(11-17)28-14-26-19/h6-11,15,24H,4-5,12-14H2,1-3H3
InChIKey
IDDKYGBAGCBUSM-UHFFFAOYSA-N
Compound name
1,1-bis(1,3-benzodioxol-5-yl)-3-(diethylamino)-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.18893 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.19621 190.7
[M+Na]+ 408.17815 200.4
[M+NH4]+ 403.22275 197.4
[M+K]+ 424.15209 200.6
[M-H]- 384.18165 198.7
[M+Na-2H]- 406.16360 191.9
[M]+ 385.18838 194.4
[M]- 385.18948 194.4
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.