CID 6434049

Brn 1555032

Structural Information

Molecular Formula
C20H16N2O6
SMILES
COC1=CC=CC(=C1OC)/C=C/C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H16N2O6/c1-26-16-7-3-5-14(19(16)27-2)9-11-17(23)28-20-15(22(24)25)10-8-13-6-4-12-21-18(13)20/h3-12H,1-2H3/b11-9+
InChIKey
YABPNAFZBTWJPL-PKNBQFBNSA-N
Compound name
(7-nitroquinolin-8-yl) (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

380.10083 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.10811 187.7
[M+Na]+ 403.09005 193.9
[M-H]- 379.09355 194.0
[M+NH4]+ 398.13465 197.7
[M+K]+ 419.06399 186.5
[M+H-H2O]+ 363.09809 181.9
[M+HCOO]- 425.09903 209.1
[M+CH3COO]- 439.11468 212.6
[M+Na-2H]- 401.07550 193.6
[M]+ 380.10028 191.3
[M]- 380.10138 191.3
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

patents stripe