CID 3048864

10(5h)-phenarsazineethanol, 10-sulfide

Structural Information

Molecular Formula
C14H14AsNOS
SMILES
C1=CC=C2C(=C1)NC3=CC=CC=C3[As]2(=S)CCO
InChI
InChI=1S/C14H14AsNOS/c17-10-9-15(18)11-5-1-3-7-13(11)16-14-8-4-2-6-12(14)15/h1-8,16-17H,9-10H2
InChIKey
PDDYFOWEJRNHIN-UHFFFAOYSA-N
Compound name
2-(10-sulfanylidene-5H-phenarsazinin-10-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.0012 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.00848 164.8
[M+Na]+ 341.99042 173.5
[M-H]- 317.99392 165.5
[M+NH4]+ 337.03502 183.2
[M+K]+ 357.96436 166.1
[M+H-H2O]+ 301.99846 158.0
[M+HCOO]- 363.99940 176.1
[M+CH3COO]- 378.01505 175.0
[M+Na-2H]- 339.97587 170.7
[M]+ 319.00065 164.1
[M]- 319.00175 164.1
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.