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 159.2
[M+Na]+ 304.01849 169.2
[M-H]- 280.02199 164.5
[M+NH4]+ 299.06309 175.6
[M+K]+ 319.99243 162.9
[M+H-H2O]+ 264.02653 152.5
[M+HCOO]- 326.02747 173.4
[M+CH3COO]- 340.04312 200.6
[M+Na-2H]- 302.00394 157.1
[M]+ 281.02872 160.7
[M]- 281.02982 160.7
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.