CID 42387

57494-93-6

Structural Information

Molecular Formula
C9H9N3OS2
SMILES
COC1=CC=CC=C1N=C2N=C(SS2)N
InChI
InChI=1S/C9H9N3OS2/c1-13-7-5-3-2-4-6(7)11-9-12-8(10)14-15-9/h2-5H,1H3,(H2,10,11,12)
InChIKey
ZGRHTCPQCPSAKT-UHFFFAOYSA-N
Compound name
5-(2-methoxyphenyl)imino-1,2,4-dithiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0187 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.02598 147.3
[M+Na]+ 262.00792 158.6
[M+NH4]+ 257.05252 156.4
[M+K]+ 277.98186 150.3
[M-H]- 238.01142 152.2
[M+Na-2H]- 259.99337 154.5
[M]+ 239.01815 151.1
[M]- 239.01925 151.1
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.