CID 38578

40680-72-6

Structural Information

Molecular Formula
C23H29NO5
SMILES
CN(C)CCOC1=C(C2=C(C=CO2)C(=C1C(CCC3=CC=CC=C3)O)OC)OC
InChI
InChI=1S/C23H29NO5/c1-24(2)13-15-29-22-19(18(25)11-10-16-8-6-5-7-9-16)20(26-3)17-12-14-28-21(17)23(22)27-4/h5-9,12,14,18,25H,10-11,13,15H2,1-4H3
InChIKey
VBYCFOWVCNMXHV-UHFFFAOYSA-N
Compound name
1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.20456 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.21184 198.7
[M+Na]+ 422.19378 204.9
[M-H]- 398.19728 207.2
[M+NH4]+ 417.23838 211.0
[M+K]+ 438.16772 203.8
[M+H-H2O]+ 382.20182 190.0
[M+HCOO]- 444.20276 220.8
[M+CH3COO]- 458.21841 227.8
[M+Na-2H]- 420.17923 199.4
[M]+ 399.20401 209.0
[M]- 399.20511 209.0
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.