CID 9578574

25555-26-4

Structural Information

Molecular Formula
C18H18N2OS
SMILES
C1CCN(C1)/N=C/C(=O)C2=CC=C(C=C2)SC3=CC=CC=C3
InChI
InChI=1S/C18H18N2OS/c21-18(14-19-20-12-4-5-13-20)15-8-10-17(11-9-15)22-16-6-2-1-3-7-16/h1-3,6-11,14H,4-5,12-13H2/b19-14+
InChIKey
AMRYPROKDJQHAP-XMHGGMMESA-N
Compound name
(2E)-1-(4-phenylsulfanylphenyl)-2-pyrrolidin-1-yliminoethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.11398 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12126 172.3
[M+Na]+ 333.10320 184.7
[M+NH4]+ 328.14780 181.2
[M+K]+ 349.07714 175.9
[M-H]- 309.10670 178.7
[M+Na-2H]- 331.08865 181.5
[M]+ 310.11343 176.3
[M]- 310.11453 176.3
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.