CID 9566834

3,4-dimethoxybenzaldehyde 1,3-benzothiazol-2-ylhydrazone

Structural Information

Molecular Formula
C16H15N3O2S
SMILES
COC1=C(C=C(C=C1)/C=N/NC2=NC3=CC=CC=C3S2)OC
InChI
InChI=1S/C16H15N3O2S/c1-20-13-8-7-11(9-14(13)21-2)10-17-19-16-18-12-5-3-4-6-15(12)22-16/h3-10H,1-2H3,(H,18,19)/b17-10+
InChIKey
NESFNHXESBZFLZ-LICLKQGHSA-N
Compound name
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.0885 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.095776 168.9
[M+Na]+ 336.077718 179.1
[M-H]- 312.081224 177.6
[M+NH4]+ 331.122323 186.1
[M+K]+ 352.051658 174.3
[M+H-H2O]+ 296.085760 160.6
[M+HCOO]- 358.086701 192.5
[M+CH3COO]- 372.102351 181.8
[M+Na-2H]- 334.063166 174.3
[M]+ 313.08795142 176.3
[M]- 313.08904858 176.3
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

No patent data available for this compound.