CID 11417595

104797-47-9

Structural Information

Molecular Formula
C14H10N4O3S3
SMILES
CC(=O)O/N=C(/C1=CSC(=N1)N)\C(=O)SC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C14H10N4O3S3/c1-7(19)21-18-11(9-6-22-13(15)16-9)12(20)24-14-17-8-4-2-3-5-10(8)23-14/h2-6H,1H3,(H2,15,16)/b18-11-
InChIKey
YFYDYMYITUSDEE-WQRHYEAKSA-N
Compound name
[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

377.99152 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.99880 177.8
[M+Na]+ 400.98074 186.0
[M+NH4]+ 396.02534 184.3
[M+K]+ 416.95468 180.0
[M-H]- 376.98424 180.3
[M+Na-2H]- 398.96619 181.8
[M]+ 377.99097 180.7
[M]- 377.99207 180.7
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

patents stripe