CID 3063766

5,5-diphenyl-3-(3-(2-methylpiperidino)propyl)-2-thio-hydantoin hydrochloride

Structural Information

Molecular Formula
C24H29N3OS
SMILES
CC1CCCCN1CCCN2C(=O)C(NC2=S)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H29N3OS/c1-19-11-8-9-16-26(19)17-10-18-27-22(28)24(25-23(27)29,20-12-4-2-5-13-20)21-14-6-3-7-15-21/h2-7,12-15,19H,8-11,16-18H2,1H3,(H,25,29)
InChIKey
AFVRLWBQGSKOAL-UHFFFAOYSA-N
Compound name
3-[3-(2-methylpiperidin-1-yl)propyl]-5,5-diphenyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.20312 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.21040 200.1
[M+Na]+ 430.19234 205.2
[M-H]- 406.19584 206.3
[M+NH4]+ 425.23694 209.8
[M+K]+ 446.16628 196.8
[M+H-H2O]+ 390.20038 189.4
[M+HCOO]- 452.20132 208.0
[M+CH3COO]- 466.21697 206.8
[M+Na-2H]- 428.17779 195.3
[M]+ 407.20257 195.2
[M]- 407.20367 195.2
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.