CID 6444914

Brn 1555808

Structural Information

Molecular Formula
C20H14N2O6
SMILES
C/C(=C\C1=CC2=C(C=C1)OCO2)/C(=O)OC3=C(C=CC4=C3N=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C20H14N2O6/c1-12(9-13-4-7-16-17(10-13)27-11-26-16)20(23)28-19-15(22(24)25)6-5-14-3-2-8-21-18(14)19/h2-10H,11H2,1H3/b12-9+
InChIKey
QCGUPCLVCCLILJ-FMIVXFBMSA-N
Compound name
(7-nitroquinolin-8-yl) (E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.08517 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.09245 185.8
[M+Na]+ 401.07439 191.0
[M-H]- 377.07789 194.1
[M+NH4]+ 396.11899 195.4
[M+K]+ 417.04833 185.6
[M+H-H2O]+ 361.08243 181.3
[M+HCOO]- 423.08337 203.3
[M+CH3COO]- 437.09902 211.1
[M+Na-2H]- 399.05984 191.8
[M]+ 378.08462 187.7
[M]- 378.08572 187.7
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.