CID 3056099

N-cyclohexyl-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole-3-methylamine oxalate

Structural Information

Molecular Formula
C18H24N2S
SMILES
CN1C2=CC=CC=C2C3=C1SCCC3NC4CCCCC4
InChI
InChI=1S/C18H24N2S/c1-20-16-10-6-5-9-14(16)17-15(11-12-21-18(17)20)19-13-7-3-2-4-8-13/h5-6,9-10,13,15,19H,2-4,7-8,11-12H2,1H3
InChIKey
WCLWAPHONWQYPJ-UHFFFAOYSA-N
Compound name
N-cyclohexyl-9-methyl-3,4-dihydro-2H-thiopyrano[2,3-b]indol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.16602 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.17330 166.9
[M+Na]+ 323.15524 173.0
[M-H]- 299.15874 173.0
[M+NH4]+ 318.19984 185.0
[M+K]+ 339.12918 167.0
[M+H-H2O]+ 283.16328 159.3
[M+HCOO]- 345.16422 179.6
[M+CH3COO]- 359.17987 177.1
[M+Na-2H]- 321.14069 168.3
[M]+ 300.16547 163.8
[M]- 300.16657 163.8
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

No patent data available for this compound.