CID 3075567

186424-05-5

Structural Information

Molecular Formula
C16H16N2S
SMILES
C1C(N(C(=S)N1)CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H16N2S/c19-16-17-11-15(14-9-5-2-6-10-14)18(16)12-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,17,19)
InChIKey
GOLHBNRSNIJRCC-UHFFFAOYSA-N
Compound name
1-benzyl-5-phenylimidazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.10342 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11070 161.2
[M+Na]+ 291.09264 169.0
[M-H]- 267.09614 167.0
[M+NH4]+ 286.13724 176.5
[M+K]+ 307.06658 161.9
[M+H-H2O]+ 251.10068 152.9
[M+HCOO]- 313.10162 175.7
[M+CH3COO]- 327.11727 172.0
[M+Na-2H]- 289.07809 161.0
[M]+ 268.10287 158.2
[M]- 268.10397 158.2
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.