CID 3074307

2h-quinolizine, octahydro-1-((((7-methyl-1h-indol-3-yl)methyl)thio)methyl)-, (1r-trans)-

Structural Information

Molecular Formula
C20H28N2S
SMILES
CC1=C2C(=CC=C1)C(=CN2)CSC[C@@H]3CCCN4[C@@H]3CCCC4
InChI
InChI=1S/C20H28N2S/c1-15-6-4-8-18-17(12-21-20(15)18)14-23-13-16-7-5-11-22-10-3-2-9-19(16)22/h4,6,8,12,16,19,21H,2-3,5,7,9-11,13-14H2,1H3/t16-,19+/m0/s1
InChIKey
DPYZJSABGLRHEH-QFBILLFUSA-N
Compound name
(1R,9aR)-1-[(7-methyl-1H-indol-3-yl)methylsulfanylmethyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.19733 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.20461 177.9
[M+Na]+ 351.18655 190.6
[M+NH4]+ 346.23115 188.0
[M+K]+ 367.16049 180.9
[M-H]- 327.19005 182.6
[M+Na-2H]- 349.17200 182.7
[M]+ 328.19678 181.6
[M]- 328.19788 181.6
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.