CID 6444920

Brn 1552522

Structural Information

Molecular Formula
C22H14N2O4
SMILES
C1=CC=C2C(=C1)C=CC=C2/C=C/C(=O)OC3=C(C=CC4=C3N=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C22H14N2O4/c25-20(13-11-16-7-3-6-15-5-1-2-9-18(15)16)28-22-19(24(26)27)12-10-17-8-4-14-23-21(17)22/h1-14H/b13-11+
InChIKey
VTPPEHRJAWJEDD-ACCUITESSA-N
Compound name
(7-nitroquinolin-8-yl) (E)-3-naphthalen-1-ylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.09537 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.10265 183.6
[M+Na]+ 393.08459 201.6
[M+NH4]+ 388.12919 191.6
[M+K]+ 409.05853 194.7
[M-H]- 369.08809 190.2
[M+Na-2H]- 391.07004 193.1
[M]+ 370.09482 188.2
[M]- 370.09592 188.2
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.