CID 3424064

1-(4-chlorophenyl)-n-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine

Structural Information

Molecular Formula
C14H13ClN2S
SMILES
C1CCC2=C(C1)N=C(S2)N=CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H13ClN2S/c15-11-7-5-10(6-8-11)9-16-14-17-12-3-1-2-4-13(12)18-14/h5-9H,1-4H2
InChIKey
GUFUIKVCVBRCGU-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.0488 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.05608 159.3
[M+Na]+ 299.03802 173.7
[M+NH4]+ 294.08262 170.2
[M+K]+ 315.01196 163.7
[M-H]- 275.04152 165.3
[M+Na-2H]- 297.02347 167.5
[M]+ 276.04825 163.9
[M]- 276.04935 163.9
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.