CID 10990686

[5-[(e)-(1,3-benzothiazol-2-ylhydrazono)methyl]-2-furyl]methyl acetate

Structural Information

Molecular Formula
C15H13N3O3S
SMILES
CC(=O)OCC1=CC=C(O1)/C=N/NC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C15H13N3O3S/c1-10(19)20-9-12-7-6-11(21-12)8-16-18-15-17-13-4-2-3-5-14(13)22-15/h2-8H,9H2,1H3,(H,17,18)/b16-8+
InChIKey
HTVUUURGWYAESA-LZYBPNLTSA-N
Compound name
[5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.06775 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.07503 170.5
[M+Na]+ 338.05697 180.3
[M-H]- 314.06047 180.3
[M+NH4]+ 333.10157 188.0
[M+K]+ 354.03091 177.9
[M+H-H2O]+ 298.06501 163.6
[M+HCOO]- 360.06595 194.0
[M+CH3COO]- 374.08160 183.7
[M+Na-2H]- 336.04242 174.0
[M]+ 315.06720 178.8
[M]- 315.06830 178.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.