CID 331967

76383-11-4

Structural Information

Molecular Formula
C17H14N2OS2
SMILES
C=CCSC1=NC2=C(S1)C=C(C=C2)N=CC3=CC=CC=C3O
InChI
InChI=1S/C17H14N2OS2/c1-2-9-21-17-19-14-8-7-13(10-16(14)22-17)18-11-12-5-3-4-6-15(12)20/h2-8,10-11,20H,1,9H2
InChIKey
ZWPBLWYDADPJLU-UHFFFAOYSA-N
Compound name
2-[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.05475 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.06203 171.8
[M+Na]+ 349.04397 183.1
[M-H]- 325.04747 178.7
[M+NH4]+ 344.08857 188.6
[M+K]+ 365.01791 174.9
[M+H-H2O]+ 309.05201 165.1
[M+HCOO]- 371.05295 187.2
[M+CH3COO]- 385.06860 183.6
[M+Na-2H]- 347.02942 173.9
[M]+ 326.05420 177.4
[M]- 326.05530 177.4
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.