CID 214001

Barbituric acid, 1,3-bis(butoxymethyl)-5-ethyl-5-phenyl-

Structural Information

Molecular Formula
C22H32N2O5
SMILES
CCCCOCN1C(=O)C(C(=O)N(C1=O)COCCCC)(CC)C2=CC=CC=C2
InChI
InChI=1S/C22H32N2O5/c1-4-7-14-28-16-23-19(25)22(6-3,18-12-10-9-11-13-18)20(26)24(21(23)27)17-29-15-8-5-2/h9-13H,4-8,14-17H2,1-3H3
InChIKey
AQEFRZWUGXKHCV-UHFFFAOYSA-N
Compound name
1,3-bis(butoxymethyl)-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

404.2311 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.23838 200.0
[M+Na]+ 427.22032 210.7
[M+NH4]+ 422.26492 205.1
[M+K]+ 443.19426 202.0
[M-H]- 403.22382 200.5
[M+Na-2H]- 425.20577 203.9
[M]+ 404.23055 201.5
[M]- 404.23165 201.5
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