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]+ 240.025976 146.8
[M+Na]+ 262.007918 157.4
[M-H]- 238.011424 153.9
[M+NH4]+ 257.052523 166.0
[M+K]+ 277.981858 152.4
[M+H-H2O]+ 222.015960 139.9
[M+HCOO]- 284.016901 164.8
[M+CH3COO]- 298.032551 160.2
[M+Na-2H]- 259.993366 148.9
[M]+ 239.01815142 149.6
[M]- 239.01924858 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.