CID 20284794

9-ethyl-4-((methylamino)methyl)-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole

Structural Information

Molecular Formula
C15H20N2S
SMILES
CCN1C2=CC=CC=C2C3=C1SCCC3CNC
InChI
InChI=1S/C15H20N2S/c1-3-17-13-7-5-4-6-12(13)14-11(10-16-2)8-9-18-15(14)17/h4-7,11,16H,3,8-10H2,1-2H3
InChIKey
OOELHKHCSHFIOX-UHFFFAOYSA-N
Compound name
1-(9-ethyl-3,4-dihydro-2H-thiopyrano[2,3-b]indol-4-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

260.1347 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14198 157.1
[M+Na]+ 283.12392 166.3
[M-H]- 259.12742 161.4
[M+NH4]+ 278.16852 177.7
[M+K]+ 299.09786 161.0
[M+H-H2O]+ 243.13196 150.8
[M+HCOO]- 305.13290 173.6
[M+CH3COO]- 319.14855 169.4
[M+Na-2H]- 281.10937 160.6
[M]+ 260.13415 159.8
[M]- 260.13525 159.8
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

patents stripe