CID 20284838

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

Structural Information

Molecular Formula
C16H22N2S
SMILES
CCCCNCC1CCSC2=C1C3=CC=CC=C3N2
InChI
InChI=1S/C16H22N2S/c1-2-3-9-17-11-12-8-10-19-16-15(12)13-6-4-5-7-14(13)18-16/h4-7,12,17-18H,2-3,8-11H2,1H3
InChIKey
OQUUQVJGHIULOC-UHFFFAOYSA-N
Compound name
N-(2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-ylmethyl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

274.15036 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.15764 160.4
[M+Na]+ 297.13958 167.8
[M-H]- 273.14308 162.6
[M+NH4]+ 292.18418 179.3
[M+K]+ 313.11352 161.4
[M+H-H2O]+ 257.14762 154.0
[M+HCOO]- 319.14856 175.1
[M+CH3COO]- 333.16421 171.2
[M+Na-2H]- 295.12503 163.8
[M]+ 274.14981 161.2
[M]- 274.15091 161.2
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