CID 511727

1-(2-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=C3Cl
InChI
InChI=1S/C15H11ClN2S/c1-10-6-7-14-12(8-10)15(18-19-14)17-9-11-4-2-3-5-13(11)16/h2-9H,1H3
InChIKey
GVXQOJBRPJRCQP-UHFFFAOYSA-N
Compound name
1-(2-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]+ 287.04042 162.7
[M+Na]+ 309.02236 175.6
[M-H]- 285.02586 171.6
[M+NH4]+ 304.06696 182.6
[M+K]+ 324.99630 168.5
[M+H-H2O]+ 269.03040 155.9
[M+HCOO]- 331.03134 180.6
[M+CH3COO]- 345.04699 176.6
[M+Na-2H]- 307.00781 166.8
[M]+ 286.03259 169.8
[M]- 286.03369 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.