CID 3056115

6-fluoro-n-methyl-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole-4-methylamine oxalate

Structural Information

Molecular Formula
C13H15FN2S
SMILES
CNCC1CCSC2=C1C3=C(N2)C=CC(=C3)F
InChI
InChI=1S/C13H15FN2S/c1-15-7-8-4-5-17-13-12(8)10-6-9(14)2-3-11(10)16-13/h2-3,6,8,15-16H,4-5,7H2,1H3
InChIKey
GSJHQJORMMSUSI-UHFFFAOYSA-N
Compound name
1-(6-fluoro-2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.094 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10128 149.9
[M+Na]+ 273.08322 159.6
[M-H]- 249.08672 151.7
[M+NH4]+ 268.12782 170.1
[M+K]+ 289.05716 153.4
[M+H-H2O]+ 233.09126 143.4
[M+HCOO]- 295.09220 164.5
[M+CH3COO]- 309.10785 161.8
[M+Na-2H]- 271.06867 153.6
[M]+ 250.09345 149.2
[M]- 250.09455 149.2
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.