CID 3056111

8-ethyl-n-methyl-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole-4-methylamine oxalate

Structural Information

Molecular Formula
C15H20N2S
SMILES
CCC1=C2C(=CC=C1)C3=C(N2)SCCC3CNC
InChI
InChI=1S/C15H20N2S/c1-3-10-5-4-6-12-13-11(9-16-2)7-8-18-15(13)17-14(10)12/h4-6,11,16-17H,3,7-9H2,1-2H3
InChIKey
FNPWEKCKGLBLAI-UHFFFAOYSA-N
Compound name
1-(8-ethyl-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

1
Patents

260.1347 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14198 156.7
[M+Na]+ 283.12392 165.4
[M-H]- 259.12742 159.6
[M+NH4]+ 278.16852 176.5
[M+K]+ 299.09786 159.2
[M+H-H2O]+ 243.13196 150.8
[M+HCOO]- 305.13290 171.7
[M+CH3COO]- 319.14855 168.3
[M+Na-2H]- 281.10937 159.9
[M]+ 260.13415 157.6
[M]- 260.13525 157.6
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