CID 3049367

64686-82-4

Structural Information

Molecular Formula
C11H11N3OS2
SMILES
C1=CC=C(C=C1)CN2C(=C(SC2=S)C(=O)N)N
InChI
InChI=1S/C11H11N3OS2/c12-9-8(10(13)15)17-11(16)14(9)6-7-4-2-1-3-5-7/h1-5H,6,12H2,(H2,13,15)
InChIKey
KYVMDQPAZYWJQB-UHFFFAOYSA-N
Compound name
4-amino-3-benzyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.03436 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.04164 155.6
[M+Na]+ 288.02358 165.2
[M-H]- 264.02708 160.7
[M+NH4]+ 283.06818 172.6
[M+K]+ 303.99752 158.4
[M+H-H2O]+ 248.03162 148.9
[M+HCOO]- 310.03256 169.7
[M+CH3COO]- 324.04821 197.3
[M+Na-2H]- 286.00903 153.9
[M]+ 265.03381 155.4
[M]- 265.03491 155.4
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.