CID 58257169

Schembl8027809

Structural Information

Molecular Formula
C26H26N2O2S
SMILES
CC1(C(=O)N(C(=O)N1CC2=CC=CC=C2CC3=CC=CC=C3)C4=CC(=CC=C4)SC)C
InChI
InChI=1S/C26H26N2O2S/c1-26(2)24(29)28(22-14-9-15-23(17-22)31-3)25(30)27(26)18-21-13-8-7-12-20(21)16-19-10-5-4-6-11-19/h4-15,17H,16,18H2,1-3H3
InChIKey
WURWRZROHLTLFU-UHFFFAOYSA-N
Compound name
1-[(2-benzylphenyl)methyl]-5,5-dimethyl-3-(3-methylsulfanylphenyl)imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

430.1715 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.178776 205.5
[M+Na]+ 453.160718 214.5
[M-H]- 429.164224 216.1
[M+NH4]+ 448.205323 216.9
[M+K]+ 469.134658 206.8
[M+H-H2O]+ 413.168760 195.1
[M+HCOO]- 475.169701 219.8
[M+CH3COO]- 489.185351 214.8
[M+Na-2H]- 451.146166 201.8
[M]+ 430.17095142 208.8
[M]- 430.17204858 208.8
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

patents stripe