CID 20037

Phenarsazine oxide

Structural Information

Molecular Formula
C24H18As2N2O
SMILES
C1=CC=C2C(=C1)NC3=CC=CC=C3[As]2O[As]4C5=CC=CC=C5NC6=CC=CC=C64
InChI
InChI=1S/C24H18As2N2O/c1-5-13-21-17(9-1)25(18-10-2-6-14-22(18)27-21)29-26-19-11-3-7-15-23(19)28-24-16-8-4-12-20(24)26/h1-16,27-28H
InChIKey
SDMIOFRAYIQSKO-UHFFFAOYSA-N
Compound name
10-(5H-phenarsazinin-10-yloxy)-5H-phenarsazinine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

57
Patents

499.9851 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.99238 206.8
[M+Na]+ 522.97432 212.3
[M-H]- 498.97782 209.3
[M+NH4]+ 518.01892 216.0
[M+K]+ 538.94826 201.7
[M+H-H2O]+ 482.98236 193.0
[M+HCOO]- 544.98330 215.4
[M+CH3COO]- 558.99895 212.1
[M+Na-2H]- 520.95977 212.2
[M]+ 499.98455 201.1
[M]- 499.98565 201.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe