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 160.7
[M+Na]+ 299.03802 170.0
[M-H]- 275.04152 168.2
[M+NH4]+ 294.08262 180.4
[M+K]+ 315.01196 163.8
[M+H-H2O]+ 259.04606 153.8
[M+HCOO]- 321.04700 174.8
[M+CH3COO]- 335.06265 173.1
[M+Na-2H]- 297.02347 163.2
[M]+ 276.04825 162.8
[M]- 276.04935 162.8
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.