CID 4340133

N-benzyl-6-chloro-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C14H11ClN2S
SMILES
C1=CC=C(C=C1)CNC2=NC3=C(S2)C=C(C=C3)Cl
InChI
InChI=1S/C14H11ClN2S/c15-11-6-7-12-13(8-11)18-14(17-12)16-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKey
FGUYDZANGPMTNM-UHFFFAOYSA-N
Compound name
N-benzyl-6-chloro-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

274.03314 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.04042 157.2
[M+Na]+ 297.02236 168.9
[M-H]- 273.02586 164.5
[M+NH4]+ 292.06696 176.6
[M+K]+ 312.99630 161.7
[M+H-H2O]+ 257.03040 150.8
[M+HCOO]- 319.03134 173.9
[M+CH3COO]- 333.04699 170.6
[M+Na-2H]- 295.00781 162.4
[M]+ 274.03259 162.6
[M]- 274.03369 162.6
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

patents stripe