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 146.8
[M+Na]+ 262.00792 157.4
[M-H]- 238.01142 153.9
[M+NH4]+ 257.05252 166.0
[M+K]+ 277.98186 152.4
[M+H-H2O]+ 222.01596 139.9
[M+HCOO]- 284.01690 164.8
[M+CH3COO]- 298.03255 160.2
[M+Na-2H]- 259.99337 148.9
[M]+ 239.01815 149.6
[M]- 239.01925 149.6
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.