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 151.1
[M+Na]+ 275.03802 161.9
[M-H]- 251.04152 153.8
[M+NH4]+ 270.08262 171.9
[M+K]+ 291.01196 154.6
[M+H-H2O]+ 235.04606 146.6
[M+HCOO]- 297.04700 161.8
[M+CH3COO]- 311.06265 163.3
[M+Na-2H]- 273.02347 154.3
[M]+ 252.04825 152.0
[M]- 252.04935 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.