CID 511728

1-(3-chlorophenyl)-n-(5-methyl-1,2-benzothiazol-3-yl)methanimine

Structural Information

Molecular Formula
C15H11ClN2S
SMILES
CC1=CC2=C(C=C1)SN=C2N=CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C15H11ClN2S/c1-10-5-6-14-13(7-10)15(18-19-14)17-9-11-3-2-4-12(16)8-11/h2-9H,1H3
InChIKey
AQGFOYOTRIBVAL-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-N-(5-methyl-1,2-benzothiazol-3-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

286.03314 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.040416 162.7
[M+Na]+ 309.022358 175.6
[M-H]- 285.025864 171.6
[M+NH4]+ 304.066963 182.6
[M+K]+ 324.996298 168.5
[M+H-H2O]+ 269.030400 155.9
[M+HCOO]- 331.031341 180.6
[M+CH3COO]- 345.046991 176.6
[M+Na-2H]- 307.007806 166.8
[M]+ 286.03259142 169.8
[M]- 286.03368858 169.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.