CID 1185862

308296-46-0

Structural Information

Molecular Formula
C20H19NO6
SMILES
CC1=C(C2=C(O1)C=CC(=C2)OCC3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC(C)C
InChI
InChI=1S/C20H19NO6/c1-12(2)26-20(22)19-13(3)27-18-8-7-16(10-17(18)19)25-11-14-5-4-6-15(9-14)21(23)24/h4-10,12H,11H2,1-3H3
InChIKey
IZNPWQIBSWGYMU-UHFFFAOYSA-N
Compound name
propan-2-yl 2-methyl-5-[(3-nitrophenyl)methoxy]-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.12125 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.128526 187.1
[M+Na]+ 392.110468 193.8
[M-H]- 368.113974 196.1
[M+NH4]+ 387.155073 199.7
[M+K]+ 408.084408 188.4
[M+H-H2O]+ 352.118510 183.7
[M+HCOO]- 414.119451 210.0
[M+CH3COO]- 428.135101 211.9
[M+Na-2H]- 390.095916 190.7
[M]+ 369.12070142 193.3
[M]- 369.12179858 193.3
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.