CID 385456

Nsc676694

Structural Information

Molecular Formula
C19H18N2S
SMILES
C1CCN(C1)C2C3=CC=CN3C4=C2SC=C4C5=CC=CC=C5
InChI
InChI=1S/C19H18N2S/c1-2-7-14(8-3-1)15-13-22-19-17(15)21-12-6-9-16(21)18(19)20-10-4-5-11-20/h1-3,6-9,12-13,18H,4-5,10-11H2
InChIKey
OIIGPQKNFGHEGO-UHFFFAOYSA-N
Compound name
3-phenyl-8-pyrrolidin-1-yl-8H-thieno[2,3-b]pyrrolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.11908 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.12636 172.7
[M+Na]+ 329.10830 184.3
[M-H]- 305.11180 184.5
[M+NH4]+ 324.15290 195.4
[M+K]+ 345.08224 179.8
[M+H-H2O]+ 289.11634 167.7
[M+HCOO]- 351.11728 191.8
[M+CH3COO]- 365.13293 186.0
[M+Na-2H]- 327.09375 168.2
[M]+ 306.11853 176.9
[M]- 306.11963 176.9
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.