CID 3039272

Brn 1143356

Structural Information

Molecular Formula
C20H21NS2
SMILES
CN1CCC(=C2C3=CC=CC=C3SC4=C2C=C(C=C4)SC)CC1
InChI
InChI=1S/C20H21NS2/c1-21-11-9-14(10-12-21)20-16-5-3-4-6-18(16)23-19-8-7-15(22-2)13-17(19)20/h3-8,13H,9-12H2,1-2H3
InChIKey
FPANKUUAVASGAH-UHFFFAOYSA-N
Compound name
1-methyl-4-(2-methylsulfanylthioxanthen-9-ylidene)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

339.11154 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.11882 172.7
[M+Na]+ 362.10076 180.0
[M-H]- 338.10426 178.0
[M+NH4]+ 357.14536 187.9
[M+K]+ 378.07470 172.1
[M+H-H2O]+ 322.10880 165.1
[M+HCOO]- 384.10974 177.9
[M+CH3COO]- 398.12539 181.9
[M+Na-2H]- 360.08621 173.8
[M]+ 339.11099 170.7
[M]- 339.11209 170.7
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

patents stripe