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

2
Patents

260.1347 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.141976 156.7
[M+Na]+ 283.123918 165.4
[M-H]- 259.127424 159.6
[M+NH4]+ 278.168523 176.5
[M+K]+ 299.097858 159.2
[M+H-H2O]+ 243.131960 150.8
[M+HCOO]- 305.132901 171.7
[M+CH3COO]- 319.148551 168.3
[M+Na-2H]- 281.109366 159.9
[M]+ 260.13415142 157.6
[M]- 260.13524858 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