CID 3056124

2,3,4,9-tetrahydro-n-methyl-9-(phenylmethyl)thiopyrano(2,3-b)indole-4-methanamine hcl

Structural Information

Molecular Formula
C20H22N2S
SMILES
CNCC1CCSC2=C1C3=CC=CC=C3N2CC4=CC=CC=C4
InChI
InChI=1S/C20H22N2S/c1-21-13-16-11-12-23-20-19(16)17-9-5-6-10-18(17)22(20)14-15-7-3-2-4-8-15/h2-10,16,21H,11-14H2,1H3
InChIKey
LMDNPJFFLUGJBY-UHFFFAOYSA-N
Compound name
1-(9-benzyl-3,4-dihydro-2H-thiopyrano[2,3-b]indol-4-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.15036 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.157636 173.1
[M+Na]+ 345.139578 181.6
[M-H]- 321.143084 180.2
[M+NH4]+ 340.184183 190.6
[M+K]+ 361.113518 174.5
[M+H-H2O]+ 305.147620 165.3
[M+HCOO]- 367.148561 189.5
[M+CH3COO]- 381.164211 184.2
[M+Na-2H]- 343.125026 176.4
[M]+ 322.14981142 174.9
[M]- 322.15090858 174.9
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.