CID 3056089

73425-51-1

Structural Information

Molecular Formula
C12H13ClN2S
SMILES
C1CSC2=C(C1CN)C3=C(N2)C=CC(=C3)Cl
InChI
InChI=1S/C12H13ClN2S/c13-8-1-2-10-9(5-8)11-7(6-14)3-4-16-12(11)15-10/h1-2,5,7,15H,3-4,6,14H2
InChIKey
SXGIUXPCEVZFRI-UHFFFAOYSA-N
Compound name
(6-chloro-2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.0488 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.05608 150.5
[M+Na]+ 275.03802 164.1
[M+NH4]+ 270.08262 161.3
[M+K]+ 291.01196 155.5
[M-H]- 251.04152 154.2
[M+Na-2H]- 273.02347 155.7
[M]+ 252.04825 154.3
[M]- 252.04935 154.3
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

No patent data available for this compound.