CID 5334879

73718-47-5

Structural Information

Molecular Formula
C16H13N3OS2
SMILES
C1=CC=C(C=C1)/C=N/NC(=O)CSC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C16H13N3OS2/c20-15(19-17-10-12-6-2-1-3-7-12)11-21-16-18-13-8-4-5-9-14(13)22-16/h1-10H,11H2,(H,19,20)/b17-10+
InChIKey
SSMRCFLCGZRUDT-LICLKQGHSA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-benzylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

327.05002 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.05730 170.8
[M+Na]+ 350.03924 180.1
[M-H]- 326.04274 178.5
[M+NH4]+ 345.08384 187.3
[M+K]+ 366.01318 173.4
[M+H-H2O]+ 310.04728 163.2
[M+HCOO]- 372.04822 187.9
[M+CH3COO]- 386.06387 182.4
[M+Na-2H]- 348.02469 175.1
[M]+ 327.04947 175.7
[M]- 327.05057 175.7
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

No patent data available for this compound.