CID 3056119

4-(piperidinomethyl)-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole oxalate

Structural Information

Molecular Formula
C17H22N2S
SMILES
C1CCN(CC1)CC2CCSC3=C2C4=CC=CC=C4N3
InChI
InChI=1S/C17H22N2S/c1-4-9-19(10-5-1)12-13-8-11-20-17-16(13)14-6-2-3-7-15(14)18-17/h2-3,6-7,13,18H,1,4-5,8-12H2
InChIKey
XATOALUTMPMCDG-UHFFFAOYSA-N
Compound name
4-(piperidin-1-ylmethyl)-2,3,4,9-tetrahydrothiopyrano[2,3-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

286.15036 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.15764 163.8
[M+Na]+ 309.13958 170.1
[M-H]- 285.14308 167.2
[M+NH4]+ 304.18418 180.5
[M+K]+ 325.11352 163.5
[M+H-H2O]+ 269.14762 156.0
[M+HCOO]- 331.14856 173.2
[M+CH3COO]- 345.16421 173.4
[M+Na-2H]- 307.12503 165.1
[M]+ 286.14981 159.4
[M]- 286.15091 159.4
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