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]+ 431.17878 205.5
[M+Na]+ 453.16072 214.5
[M-H]- 429.16422 216.1
[M+NH4]+ 448.20532 216.9
[M+K]+ 469.13466 206.8
[M+H-H2O]+ 413.16876 195.1
[M+HCOO]- 475.16970 219.8
[M+CH3COO]- 489.18535 214.8
[M+Na-2H]- 451.14617 201.8
[M]+ 430.17095 208.8
[M]- 430.17205 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