CID 6444913

Brn 1556154

Structural Information

Molecular Formula
C19H13N3O6
SMILES
C/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H13N3O6/c1-12(10-13-4-2-6-15(11-13)21(24)25)19(23)28-18-16(22(26)27)8-7-14-5-3-9-20-17(14)18/h2-11H,1H3/b12-10+
InChIKey
TZBWKLDCLQMGOH-ZRDIBKRKSA-N
Compound name
(7-nitroquinolin-8-yl) (E)-2-methyl-3-(3-nitrophenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.08044 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.08772 184.9
[M+Na]+ 402.06966 199.3
[M+NH4]+ 397.11426 190.4
[M+K]+ 418.04360 198.2
[M-H]- 378.07316 190.1
[M+Na-2H]- 400.05511 191.0
[M]+ 379.07989 188.1
[M]- 379.08099 188.1
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.