CID 6444918

Brn 1549404

Structural Information

Molecular Formula
C16H10N2O5
SMILES
C1=CC2=C(C(=C(C=C2)[N+](=O)[O-])OC(=O)/C=C/C3=CC=CO3)N=C1
InChI
InChI=1S/C16H10N2O5/c19-14(8-6-12-4-2-10-22-12)23-16-13(18(20)21)7-5-11-3-1-9-17-15(11)16/h1-10H/b8-6+
InChIKey
GDXIKCKHOFASIP-SOFGYWHQSA-N
Compound name
(7-nitroquinolin-8-yl) (E)-3-(furan-2-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.05896 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.06624 168.0
[M+Na]+ 333.04818 175.7
[M-H]- 309.05168 175.7
[M+NH4]+ 328.09278 181.3
[M+K]+ 349.02212 169.0
[M+H-H2O]+ 293.05622 164.0
[M+HCOO]- 355.05716 192.2
[M+CH3COO]- 369.07281 195.8
[M+Na-2H]- 331.03363 176.1
[M]+ 310.05841 171.0
[M]- 310.05951 171.0
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.