CID 135434936

150012-79-6

Structural Information

Molecular Formula
C24H17N3O4
SMILES
C1=CC=C(C=C1)/C(=C/C2=NC3=C(C=C(C=C3)[N+](=O)[O-])N=C2/C=C(/C4=CC=CC=C4)\O)/O
InChI
InChI=1S/C24H17N3O4/c28-23(16-7-3-1-4-8-16)14-21-22(15-24(29)17-9-5-2-6-10-17)26-20-13-18(27(30)31)11-12-19(20)25-21/h1-15,28-29H/b23-14-,24-15-
InChIKey
WRLJXZCHZYWTBM-YBOYZMIGSA-N
Compound name
(Z)-2-[3-[(Z)-2-hydroxy-2-phenylethenyl]-6-nitroquinoxalin-2-yl]-1-phenylethenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.12192 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.12920 195.7
[M+Na]+ 434.11114 199.2
[M-H]- 410.11464 200.5
[M+NH4]+ 429.15574 200.6
[M+K]+ 450.08508 187.8
[M+H-H2O]+ 394.11918 188.5
[M+HCOO]- 456.12012 211.2
[M+CH3COO]- 470.13577 214.0
[M+Na-2H]- 432.09659 201.0
[M]+ 411.12137 191.0
[M]- 411.12247 191.0
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.