CID 388533

Nsc683515

Structural Information

Molecular Formula
C20H21N2S
SMILES
C[N+]12C=CC=C1C(C3=C2C(=CS3)C4=CC=CC=C4)N5CCCC5
InChI
InChI=1S/C20H21N2S/c1-22-13-7-10-17(22)18(21-11-5-6-12-21)20-19(22)16(14-23-20)15-8-3-2-4-9-15/h2-4,7-10,13-14,18H,5-6,11-12H2,1H3/q+1
InChIKey
FGLNPYKBSNTTDK-UHFFFAOYSA-N
Compound name
4-methyl-3-phenyl-8-pyrrolidin-1-yl-8H-thieno[2,3-b]pyrrolizin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.14255 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.14983 178.2
[M+Na]+ 344.13177 188.6
[M-H]- 320.13527 189.6
[M+NH4]+ 339.17637 201.7
[M+K]+ 360.10571 178.6
[M+H-H2O]+ 304.13981 175.1
[M+HCOO]- 366.14075 195.0
[M+CH3COO]- 380.15640 190.5
[M+Na-2H]- 342.11722 175.9
[M]+ 321.14200 179.5
[M]- 321.14310 179.5
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.