CID 101061738

Sdz-glc-756

Structural Information

Molecular Formula
C20H24N2S
SMILES
CN1C[C@@H](C[C@H]2[C@H]1CC3=CC=CC=C3C2)CSC4=CC=CC=N4
InChI
InChI=1S/C20H24N2S/c1-22-13-15(14-23-20-8-4-5-9-21-20)10-18-11-16-6-2-3-7-17(16)12-19(18)22/h2-9,15,18-19H,10-14H2,1H3/t15-,18-,19-/m1/s1
InChIKey
JVCCQRRESBKGJS-ATZDWAIDSA-N
Compound name
(3R,4aR,10aR)-1-methyl-3-(pyridin-2-ylsulfanylmethyl)-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.16602 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.173296 175.1
[M+Na]+ 347.155238 180.9
[M-H]- 323.158744 179.0
[M+NH4]+ 342.199843 188.8
[M+K]+ 363.129178 174.0
[M+H-H2O]+ 307.163280 165.3
[M+HCOO]- 369.164221 183.7
[M+CH3COO]- 383.179871 183.7
[M+Na-2H]- 345.140686 177.5
[M]+ 324.16547142 172.4
[M]- 324.16656858 172.4
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.