CID 467791

(2,3-dianilinoquinoxalin-6-yl)-phenyl-methanone

Structural Information

Molecular Formula
C27H20N4O
SMILES
C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(C(=N3)NC4=CC=CC=C4)NC5=CC=CC=C5
InChI
InChI=1S/C27H20N4O/c32-25(19-10-4-1-5-11-19)20-16-17-23-24(18-20)31-27(29-22-14-8-3-9-15-22)26(30-23)28-21-12-6-2-7-13-21/h1-18H,(H,28,30)(H,29,31)
InChIKey
HAYDDDIAUMJVCI-UHFFFAOYSA-N
Compound name
(2,3-dianilinoquinoxalin-6-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.1637 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.17098 199.2
[M+Na]+ 439.15292 204.4
[M-H]- 415.15642 209.0
[M+NH4]+ 434.19752 205.2
[M+K]+ 455.12686 195.9
[M+H-H2O]+ 399.16096 185.4
[M+HCOO]- 461.16190 219.2
[M+CH3COO]- 475.17755 206.8
[M+Na-2H]- 437.13837 206.5
[M]+ 416.16315 196.4
[M]- 416.16425 196.4
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.