CID 7232

95-33-0

Structural Information

Molecular Formula
C13H16N2S2
SMILES
C1CCC(CC1)NSC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C13H16N2S2/c1-2-6-10(7-3-1)15-17-13-14-11-8-4-5-9-12(11)16-13/h4-5,8-10,15H,1-3,6-7H2
InChIKey
DEQZTKGFXNUBJL-UHFFFAOYSA-N
Compound name
N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

12
References

37433
Patents

264.0755 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.08278 151.4
[M+Na]+ 287.06472 163.4
[M+NH4]+ 282.10932 162.3
[M+K]+ 303.03866 153.3
[M-H]- 263.06822 157.1
[M+Na-2H]- 285.05017 158.9
[M]+ 264.07495 155.7
[M]- 264.07605 155.7
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

patents stripe