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]+ 323.15764 173.1
[M+Na]+ 345.13958 181.6
[M-H]- 321.14308 180.2
[M+NH4]+ 340.18418 190.6
[M+K]+ 361.11352 174.5
[M+H-H2O]+ 305.14762 165.3
[M+HCOO]- 367.14856 189.5
[M+CH3COO]- 381.16421 184.2
[M+Na-2H]- 343.12503 176.4
[M]+ 322.14981 174.9
[M]- 322.15091 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.