CID 6886981

2-(1,3-benzothiazol-2-ylthio)-n'-((5-methyl-2-thienyl)methylene)acetohydrazide

Structural Information

Molecular Formula
C15H13N3OS3
SMILES
CC1=CC=C(S1)/C=N/NC(=O)CSC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C15H13N3OS3/c1-10-6-7-11(21-10)8-16-18-14(19)9-20-15-17-12-4-2-3-5-13(12)22-15/h2-8H,9H2,1H3,(H,18,19)/b16-8+
InChIKey
ZNGJGOCEIOUTAV-LZYBPNLTSA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.02206 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.02934 176.7
[M+Na]+ 370.01128 187.9
[M-H]- 346.01478 184.5
[M+NH4]+ 365.05588 194.7
[M+K]+ 385.98522 180.7
[M+H-H2O]+ 330.01932 171.2
[M+HCOO]- 392.02026 189.1
[M+CH3COO]- 406.03591 188.1
[M+Na-2H]- 367.99673 177.6
[M]+ 347.02151 182.6
[M]- 347.02261 182.6
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.