CID 1584712

2-methoxyethyl 2-methyl-5-[(3-nitrophenyl)methoxy]-1-benzofuran-3-carboxylate

Structural Information

Molecular Formula
C20H19NO7
SMILES
CC1=C(C2=C(O1)C=CC(=C2)OCC3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCOC
InChI
InChI=1S/C20H19NO7/c1-13-19(20(22)26-9-8-25-2)17-11-16(6-7-18(17)28-13)27-12-14-4-3-5-15(10-14)21(23)24/h3-7,10-11H,8-9,12H2,1-2H3
InChIKey
QTZTZZHEUUOQTA-UHFFFAOYSA-N
Compound name
2-methoxyethyl 2-methyl-5-[(3-nitrophenyl)methoxy]-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.11615 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.12343 190.1
[M+Na]+ 408.10537 196.8
[M-H]- 384.10887 199.0
[M+NH4]+ 403.14997 202.0
[M+K]+ 424.07931 191.6
[M+H-H2O]+ 368.11341 186.2
[M+HCOO]- 430.11435 214.1
[M+CH3COO]- 444.13000 213.2
[M+Na-2H]- 406.09082 195.1
[M]+ 385.11560 198.3
[M]- 385.11670 198.3
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.