CID 389581

Nsc685886

Structural Information

Molecular Formula
C24H18N4O2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C24H18N4O2S/c29-31(30,18-11-2-1-3-12-18)28-24-23(26-21-14-6-7-15-22(21)27-24)25-20-16-8-10-17-9-4-5-13-19(17)20/h1-16H,(H,25,26)(H,27,28)
InChIKey
QZVRBOHELCXCOK-UHFFFAOYSA-N
Compound name
N-[3-(naphthalen-1-ylamino)quinoxalin-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

426.11505 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.12233 196.7
[M+Na]+ 449.10427 205.6
[M-H]- 425.10777 205.3
[M+NH4]+ 444.14887 204.8
[M+K]+ 465.07821 197.1
[M+H-H2O]+ 409.11231 185.5
[M+HCOO]- 471.11325 213.0
[M+CH3COO]- 485.12890 205.5
[M+Na-2H]- 447.08972 207.8
[M]+ 426.11450 199.0
[M]- 426.11560 199.0
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

patents stripe