CID 41649

55878-90-5

Structural Information

Molecular Formula
C20H20ClNO4
SMILES
CCOC(=O)C1=C(OC2=C1C(=C(C(=C2)CN(C)C)O)Cl)C3=CC=CC=C3
InChI
InChI=1S/C20H20ClNO4/c1-4-25-20(24)16-15-14(26-19(16)12-8-6-5-7-9-12)10-13(11-22(2)3)18(23)17(15)21/h5-10,23H,4,11H2,1-3H3
InChIKey
LGCMAHMPEBOPGH-UHFFFAOYSA-N
Compound name
ethyl 4-chloro-6-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

373.1081 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.11538 188.4
[M+Na]+ 396.09732 198.5
[M-H]- 372.10082 197.9
[M+NH4]+ 391.14192 203.3
[M+K]+ 412.07126 194.9
[M+H-H2O]+ 356.10536 181.7
[M+HCOO]- 418.10630 207.1
[M+CH3COO]- 432.12195 220.4
[M+Na-2H]- 394.08277 189.4
[M]+ 373.10755 198.5
[M]- 373.10865 198.5
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