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 192.1
[M+Na]+ 403.15630 198.6
[M-H]- 379.15980 197.6
[M+NH4]+ 398.20090 201.6
[M+K]+ 419.13024 190.6
[M+H-H2O]+ 363.16434 181.2
[M+HCOO]- 425.16528 199.7
[M+CH3COO]- 439.18093 199.4
[M+Na-2H]- 401.14175 188.6
[M]+ 380.16653 186.8
[M]- 380.16763 186.8
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.