CID 3038245

Brn 0711263

Structural Information

Molecular Formula
C21H24N4OS
SMILES
CN1CCN(CC1)CN2C(=O)C(NC2=S)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H24N4OS/c1-23-12-14-24(15-13-23)16-25-19(26)21(22-20(25)27,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3,(H,22,27)
InChIKey
UZCJGDSQAFVBCG-UHFFFAOYSA-N
Compound name
3-[(4-methylpiperazin-1-yl)methyl]-5,5-diphenyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.16708 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.17436 190.6
[M+Na]+ 403.15630 203.7
[M+NH4]+ 398.20090 198.8
[M+K]+ 419.13024 193.8
[M-H]- 379.15980 195.7
[M+Na-2H]- 401.14175 199.5
[M]+ 380.16653 194.4
[M]- 380.16763 194.4
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.