CID 3036461

103729-16-4

Structural Information

Molecular Formula
C19H21NS
SMILES
CSC1=CC=C(C=C1)[C@@H]2CN3CCC[C@@H]3C4=CC=CC=C24
InChI
InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18-,19+/m0/s1
InChIKey
YVKDUIAAPBKHMJ-RBUKOAKNSA-N
Compound name
(6S,10bR)-6-(4-methylsulfanylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

68
References

35
Patents

295.13947 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.14675 167.6
[M+Na]+ 318.12869 182.2
[M+NH4]+ 313.17329 179.1
[M+K]+ 334.10263 172.0
[M-H]- 294.13219 173.9
[M+Na-2H]- 316.11414 174.7
[M]+ 295.13892 172.2
[M]- 295.14002 172.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe