CID 6448507

Brn 5453365

Structural Information

Molecular Formula
C19H13NO6
SMILES
COC1=CC=C(C=C1)C2=CC(=O)/C(=C\C(=O)C3=CC=C(C=C3)[N+](=O)[O-])/O2
InChI
InChI=1S/C19H13NO6/c1-25-15-8-4-13(5-9-15)18-11-17(22)19(26-18)10-16(21)12-2-6-14(7-3-12)20(23)24/h2-11H,1H3/b19-10+
InChIKey
AXLJDUYUSRVFTC-VXLYETTFSA-N
Compound name
(2E)-5-(4-methoxyphenyl)-2-[2-(4-nitrophenyl)-2-oxoethylidene]furan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.07428 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.08156 180.7
[M+Na]+ 374.06350 186.8
[M-H]- 350.06700 191.6
[M+NH4]+ 369.10810 192.5
[M+K]+ 390.03744 180.2
[M+H-H2O]+ 334.07154 176.8
[M+HCOO]- 396.07248 204.2
[M+CH3COO]- 410.08813 205.4
[M+Na-2H]- 372.04895 183.5
[M]+ 351.07373 181.7
[M]- 351.07483 181.7
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.