CID 1185861

5010-44-6

Structural Information

Molecular Formula
C19H17NO6
SMILES
CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC3=CC(=CC=C3)[N+](=O)[O-])C
InChI
InChI=1S/C19H17NO6/c1-3-24-19(21)18-12(2)26-17-8-7-15(10-16(17)18)25-11-13-5-4-6-14(9-13)20(22)23/h4-10H,3,11H2,1-2H3
InChIKey
CKZUEOZGIVWEFS-UHFFFAOYSA-N
Compound name
ethyl 2-methyl-5-[(3-nitrophenyl)methoxy]-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.1056 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.11288 179.6
[M+Na]+ 378.09482 194.2
[M+NH4]+ 373.13942 186.3
[M+K]+ 394.06876 192.4
[M-H]- 354.09832 185.5
[M+Na-2H]- 376.08027 185.4
[M]+ 355.10505 183.3
[M]- 355.10615 183.3
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.