CID 5724281

321973-73-3

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-YVLHZVERSA-N
Compound name
N-[(Z)-(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]+ 314.09578 168.9
[M+Na]+ 336.07772 179.1
[M-H]- 312.08122 177.6
[M+NH4]+ 331.12232 186.1
[M+K]+ 352.05166 174.3
[M+H-H2O]+ 296.08576 160.6
[M+HCOO]- 358.08670 192.5
[M+CH3COO]- 372.10235 181.8
[M+Na-2H]- 334.06317 174.3
[M]+ 313.08795 176.3
[M]- 313.08905 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.