CID 132150

138331-04-1

Structural Information

Molecular Formula
C23H28N4O2S
SMILES
CCN1C(=S)N(C(=O)C1(C)C)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O
InChI
InChI=1S/C23H28N4O2S/c1-4-26-22(30)27(21(29)23(26,2)3)19-7-5-17(6-8-19)24-13-15-25(16-14-24)18-9-11-20(28)12-10-18/h5-12,28H,4,13-16H2,1-3H3
InChIKey
AHWDHLCCXRVAIC-UHFFFAOYSA-N
Compound name
1-ethyl-3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

24
Patents

424.1933 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.200576 204.0
[M+Na]+ 447.182518 211.8
[M-H]- 423.186024 210.2
[M+NH4]+ 442.227123 212.3
[M+K]+ 463.156458 204.0
[M+H-H2O]+ 407.190560 193.6
[M+HCOO]- 469.191501 210.9
[M+CH3COO]- 483.207151 211.2
[M+Na-2H]- 445.167966 197.9
[M]+ 424.19275142 202.0
[M]- 424.19384858 202.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe