CID 3056141

9-acetyl-n-methyl-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole-4-methylamine hydrochloride

Structural Information

Molecular Formula
C15H18N2OS
SMILES
CCNCC1CCSC2=C1C3=CC=CC=C3N2C=O
InChI
InChI=1S/C15H18N2OS/c1-2-16-9-11-7-8-19-15-14(11)12-5-3-4-6-13(12)17(15)10-18/h3-6,10-11,16H,2,7-9H2,1H3
InChIKey
BQCVZPQEYAMGFK-UHFFFAOYSA-N
Compound name
4-(ethylaminomethyl)-3,4-dihydro-2H-thiopyrano[2,3-b]indole-9-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.11398 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.12126 161.0
[M+Na]+ 297.10320 173.4
[M+NH4]+ 292.14780 170.6
[M+K]+ 313.07714 164.9
[M-H]- 273.10670 164.4
[M+Na-2H]- 295.08865 165.8
[M]+ 274.11343 164.2
[M]- 274.11453 164.2
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

No patent data available for this compound.