CID 11417595

S-2-benzothiazolyl (z)-2-(2-aminothiazol-4-yl)-2-acetyloxyiminothioacetate

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 183.4
[M+Na]+ 400.98074 193.4
[M-H]- 376.98424 189.6
[M+NH4]+ 396.02534 198.0
[M+K]+ 416.95468 187.7
[M+H-H2O]+ 360.98878 177.9
[M+HCOO]- 422.98972 192.8
[M+CH3COO]- 437.00537 193.5
[M+Na-2H]- 398.96619 183.2
[M]+ 377.99097 189.3
[M]- 377.99207 189.3
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