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 193.8
[M+Na]+ 408.17815 197.9
[M-H]- 384.18165 204.0
[M+NH4]+ 403.22275 204.7
[M+K]+ 424.15209 200.0
[M+H-H2O]+ 368.18619 189.0
[M+HCOO]- 430.18713 207.9
[M+CH3COO]- 444.20278 222.9
[M+Na-2H]- 406.16360 196.6
[M]+ 385.18838 199.7
[M]- 385.18948 199.7
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

patents stripe