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
7
Annotation Hits

12
References

39123
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 152.4
[M+Na]+ 287.06472 160.5
[M-H]- 263.06822 158.1
[M+NH4]+ 282.10932 171.2
[M+K]+ 303.03866 154.7
[M+H-H2O]+ 247.07276 146.1
[M+HCOO]- 309.07370 164.6
[M+CH3COO]- 323.08935 164.0
[M+Na-2H]- 285.05017 155.0
[M]+ 264.07495 152.1
[M]- 264.07605 152.1
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