CID 388535

Nsc683516

Structural Information

Molecular Formula
C20H20FN2S
SMILES
C[N+]12C=CC=C1C(C3=C2C(=CS3)C4=CC=C(C=C4)F)N5CCCC5
InChI
InChI=1S/C20H20FN2S/c1-23-12-4-5-17(23)18(22-10-2-3-11-22)20-19(23)16(13-24-20)14-6-8-15(21)9-7-14/h4-9,12-13,18H,2-3,10-11H2,1H3/q+1
InChIKey
VIRHJRNIDOVRJJ-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-4-methyl-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

339.13312 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.14040 180.0
[M+Na]+ 362.12234 191.2
[M-H]- 338.12584 190.4
[M+NH4]+ 357.16694 203.1
[M+K]+ 378.09628 180.6
[M+H-H2O]+ 322.13038 176.4
[M+HCOO]- 384.13132 195.7
[M+CH3COO]- 398.14697 192.0
[M+Na-2H]- 360.10779 176.7
[M]+ 339.13257 180.8
[M]- 339.13367 180.8
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.