CID 1387902

79610-23-4

Structural Information

Molecular Formula
C18H14N2OS3
SMILES
CN1C2=CC=CC=C2SC1=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4
InChI
InChI=1S/C18H14N2OS3/c1-19-13-9-5-6-10-14(13)23-17(19)15-16(21)20(18(22)24-15)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKey
DKGAHMQIMZILDX-UHFFFAOYSA-N
Compound name
3-benzyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

370.02682 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.03410 184.4
[M+Na]+ 393.01604 196.4
[M-H]- 369.01954 192.5
[M+NH4]+ 388.06064 200.5
[M+K]+ 408.98998 187.8
[M+H-H2O]+ 353.02408 180.0
[M+HCOO]- 415.02502 189.5
[M+CH3COO]- 429.04067 194.6
[M+Na-2H]- 391.00149 179.4
[M]+ 370.02627 185.4
[M]- 370.02737 185.4
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

patents stripe