CID 57381

3-(morpholinomethyl)-5-(p-isopentyloxyphenyl)-5-methylhydantoin hydrochloride

Structural Information

Molecular Formula
C20H29N3O4
SMILES
CC(C)CCOC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CN3CCOCC3)C
InChI
InChI=1S/C20H29N3O4/c1-15(2)8-11-27-17-6-4-16(5-7-17)20(3)18(24)23(19(25)21-20)14-22-9-12-26-13-10-22/h4-7,15H,8-14H2,1-3H3,(H,21,25)
InChIKey
UKFHORQCJSSFGU-UHFFFAOYSA-N
Compound name
5-methyl-5-[4-(3-methylbutoxy)phenyl]-3-(morpholin-4-ylmethyl)imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

375.21582 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.223096 191.4
[M+Na]+ 398.205038 195.6
[M-H]- 374.208544 195.4
[M+NH4]+ 393.249643 200.5
[M+K]+ 414.178978 192.6
[M+H-H2O]+ 358.213080 181.5
[M+HCOO]- 420.214021 202.4
[M+CH3COO]- 434.229671 215.2
[M+Na-2H]- 396.190486 188.6
[M]+ 375.21527142 189.5
[M]- 375.21636858 189.5
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

No patent data available for this compound.