CID 6434428

2-propen-1-one, 1-(6-(2-(dimethylamino)ethoxy)-4,7-dimethoxy-5-benzofuranyl)-3-(4-(1-methylethoxy)phenyl)-

Structural Information

Molecular Formula
C26H31NO6
SMILES
CC(C)OC1=CC=C(C=C1)/C=C/C(=O)C2=C(C3=C(C(=C2OCCN(C)C)OC)OC=C3)OC
InChI
InChI=1S/C26H31NO6/c1-17(2)33-19-10-7-18(8-11-19)9-12-21(28)22-23(29-5)20-13-15-31-24(20)26(30-6)25(22)32-16-14-27(3)4/h7-13,15,17H,14,16H2,1-6H3/b12-9+
InChIKey
QORKHQHTNJOOQQ-FMIVXFBMSA-N
Compound name
(E)-1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.21515 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.22243 213.3
[M+Na]+ 476.20437 219.6
[M-H]- 452.20787 223.1
[M+NH4]+ 471.24897 224.0
[M+K]+ 492.17831 218.9
[M+H-H2O]+ 436.21241 204.2
[M+HCOO]- 498.21335 235.3
[M+CH3COO]- 512.22900 241.2
[M+Na-2H]- 474.18982 211.3
[M]+ 453.21460 226.2
[M]- 453.21570 226.2
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.