CID 57386

1,3-bis(morpholinomethyl)-5-(p-butoxyphenyl)-5-methylhydantoin

Structural Information

Molecular Formula
C24H36N4O5
SMILES
CCCCOC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2CN3CCOCC3)CN4CCOCC4)C
InChI
InChI=1S/C24H36N4O5/c1-3-4-13-33-21-7-5-20(6-8-21)24(2)22(29)27(18-25-9-14-31-15-10-25)23(30)28(24)19-26-11-16-32-17-12-26/h5-8H,3-4,9-19H2,1-2H3
InChIKey
IFFKAUAMVRSFFR-UHFFFAOYSA-N
Compound name
5-(4-butoxyphenyl)-5-methyl-1,3-bis(morpholin-4-ylmethyl)imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.2686 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.27588 214.3
[M+Na]+ 483.25782 216.4
[M-H]- 459.26132 220.7
[M+NH4]+ 478.30242 217.0
[M+K]+ 499.23176 214.2
[M+H-H2O]+ 443.26586 201.3
[M+HCOO]- 505.26680 220.9
[M+CH3COO]- 519.28245 232.4
[M+Na-2H]- 481.24327 209.2
[M]+ 460.26805 211.9
[M]- 460.26915 211.9
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.