CID 103284

65151-66-8

Structural Information

Molecular Formula
C23H20N5O2
SMILES
CN1C(=[N+](C2=NC3=CC=CC=C3N=C21)C)C=CC4=C(N(OC4=O)C)C5=CC=CC=C5
InChI
InChI=1S/C23H20N5O2/c1-26-19(27(2)22-21(26)24-17-11-7-8-12-18(17)25-22)14-13-16-20(28(3)30-23(16)29)15-9-5-4-6-10-15/h4-14H,1-3H3/q+1
InChIKey
WGQOYMUUPSYNNS-UHFFFAOYSA-N
Compound name
4-[2-(1,3-dimethylimidazo[4,5-b]quinoxalin-3-ium-2-yl)ethenyl]-2-methyl-3-phenyl-1,2-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.1617 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.16898 203.1
[M+Na]+ 421.15092 217.2
[M-H]- 397.15442 211.7
[M+NH4]+ 416.19552 211.7
[M+K]+ 437.12486 204.0
[M+H-H2O]+ 381.15896 194.2
[M+HCOO]- 443.15990 221.3
[M+CH3COO]- 457.17555 213.3
[M+Na-2H]- 419.13637 206.5
[M]+ 398.16115 209.7
[M]- 398.16225 209.7
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.