CID 6434048

Brn 1551411

Structural Information

Molecular Formula
C19H14N2O5
SMILES
COC1=CC=CC(=C1)/C=C/C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H14N2O5/c1-25-15-6-2-4-13(12-15)7-10-17(22)26-19-16(21(23)24)9-8-14-5-3-11-20-18(14)19/h2-12H,1H3/b10-7+
InChIKey
NGEYYGYGKLYASJ-JXMROGBWSA-N
Compound name
(7-nitroquinolin-8-yl) (E)-3-(3-methoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.09027 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.09755 178.0
[M+Na]+ 373.07949 193.4
[M+NH4]+ 368.12409 184.6
[M+K]+ 389.05343 188.6
[M-H]- 349.08299 182.8
[M+Na-2H]- 371.06494 185.7
[M]+ 350.08972 181.4
[M]- 350.09082 181.4
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.