CID 454330

5,5di-1naphmesme hydantoin

Structural Information

Molecular Formula
C27H24N2O2S2
SMILES
C1=CC=C2C(=C1)C=CC=C2CSCC3(C(=O)NC(=O)N3)CSCC4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C27H24N2O2S2/c30-25-27(29-26(31)28-25,17-32-15-21-11-5-9-19-7-1-3-13-23(19)21)18-33-16-22-12-6-10-20-8-2-4-14-24(20)22/h1-14H,15-18H2,(H2,28,29,30,31)
InChIKey
ZXEBIROLMGKILE-UHFFFAOYSA-N
Compound name
5,5-bis(naphthalen-1-ylmethylsulfanylmethyl)imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

472.12793 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.13521 208.0
[M+Na]+ 495.11715 216.8
[M-H]- 471.12065 213.3
[M+NH4]+ 490.16175 218.5
[M+K]+ 511.09109 206.2
[M+H-H2O]+ 455.12519 199.8
[M+HCOO]- 517.12613 214.1
[M+CH3COO]- 531.14178 215.0
[M+Na-2H]- 493.10260 209.4
[M]+ 472.12738 210.5
[M]- 472.12848 210.5
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