CID 1584666

Ethyl 6-bromo-2-methyl-5-{[(2e)-3-phenylprop-2-en-1-yl]oxy}-1-benzofuran-3-carboxylate

Structural Information

Molecular Formula
C21H19BrO4
SMILES
CCOC(=O)C1=C(OC2=CC(=C(C=C21)OC/C=C/C3=CC=CC=C3)Br)C
InChI
InChI=1S/C21H19BrO4/c1-3-24-21(23)20-14(2)26-18-13-17(22)19(12-16(18)20)25-11-7-10-15-8-5-4-6-9-15/h4-10,12-13H,3,11H2,1-2H3/b10-7+
InChIKey
YRBQNKDZCPGMFG-JXMROGBWSA-N
Compound name
ethyl 6-bromo-2-methyl-5-[(E)-3-phenylprop-2-enoxy]-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.04666 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.05394 193.8
[M+Na]+ 437.03588 205.6
[M-H]- 413.03938 204.8
[M+NH4]+ 432.08048 209.9
[M+K]+ 453.00982 194.8
[M+H-H2O]+ 397.04392 192.4
[M+HCOO]- 459.04486 214.2
[M+CH3COO]- 473.06051 218.9
[M+Na-2H]- 435.02133 196.5
[M]+ 414.04611 219.7
[M]- 414.04721 219.7
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

No patent data available for this compound.