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]+ 266.041636 155.6
[M+Na]+ 288.023578 165.2
[M-H]- 264.027084 160.7
[M+NH4]+ 283.068183 172.6
[M+K]+ 303.997518 158.4
[M+H-H2O]+ 248.031620 148.9
[M+HCOO]- 310.032561 169.7
[M+CH3COO]- 324.048211 197.3
[M+Na-2H]- 286.009026 153.9
[M]+ 265.03381142 155.4
[M]- 265.03490858 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.