CID 950014

Brn 1135716

Structural Information

Molecular Formula
C11H11N3O2S2
SMILES
COC1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)N)N
InChI
InChI=1S/C11H11N3O2S2/c1-16-7-4-2-6(3-5-7)14-9(12)8(10(13)15)18-11(14)17/h2-5H,12H2,1H3,(H2,13,15)
InChIKey
XHWZKTWNQBCAEE-UHFFFAOYSA-N
Compound name
4-amino-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.02927 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.03655 160.3
[M+Na]+ 304.01849 170.1
[M+NH4]+ 299.06309 167.4
[M+K]+ 319.99243 163.4
[M-H]- 280.02199 163.5
[M+Na-2H]- 302.00394 164.7
[M]+ 281.02872 163.2
[M]- 281.02982 163.2
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.