CID 6434041

Brn 1552616

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/c1-25-16-7-3-2-5-13(16)9-11-17(22)26-19-15(21(23)24)10-8-14-6-4-12-20-18(14)19/h2-12H,1H3/b11-9+
InChIKey
KPXHJBUVYSPHIZ-PKNBQFBNSA-N
Compound name
(7-nitroquinolin-8-yl) (E)-3-(2-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 180.1
[M+Na]+ 373.07949 186.2
[M-H]- 349.08299 186.3
[M+NH4]+ 368.12409 191.2
[M+K]+ 389.05343 178.1
[M+H-H2O]+ 333.08753 174.6
[M+HCOO]- 395.08847 201.8
[M+CH3COO]- 409.10412 206.3
[M+Na-2H]- 371.06494 186.9
[M]+ 350.08972 181.7
[M]- 350.09082 181.7
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.