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 186.0
[M+Na]+ 402.06966 189.2
[M-H]- 378.07316 191.6
[M+NH4]+ 397.11426 194.1
[M+K]+ 418.04360 177.7
[M+H-H2O]+ 362.07770 184.6
[M+HCOO]- 424.07864 206.4
[M+CH3COO]- 438.09429 206.6
[M+Na-2H]- 400.05511 193.2
[M]+ 379.07989 183.6
[M]- 379.08099 183.6
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.