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]+ 253.056076 151.1
[M+Na]+ 275.038018 161.9
[M-H]- 251.041524 153.8
[M+NH4]+ 270.082623 171.9
[M+K]+ 291.011958 154.6
[M+H-H2O]+ 235.046060 146.6
[M+HCOO]- 297.047001 161.8
[M+CH3COO]- 311.062651 163.3
[M+Na-2H]- 273.023466 154.3
[M]+ 252.04825142 152.0
[M]- 252.04934858 152.0
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.