CID 207910

Barbituric acid, 1,3-bis((dodecyloxy)methyl)-5,5-diethyl-

Structural Information

Molecular Formula
C34H64N2O5
SMILES
CCCCCCCCCCCCOCN1C(=O)C(C(=O)N(C1=O)COCCCCCCCCCCCC)(CC)CC
InChI
InChI=1S/C34H64N2O5/c1-5-9-11-13-15-17-19-21-23-25-27-40-29-35-31(37)34(7-3,8-4)32(38)36(33(35)39)30-41-28-26-24-22-20-18-16-14-12-10-6-2/h5-30H2,1-4H3
InChIKey
BVZKDFDHFJZJTB-UHFFFAOYSA-N
Compound name
1,3-bis(dodecoxymethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

580.4815 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.48878 249.0
[M+Na]+ 603.47072 260.5
[M-H]- 579.47422 240.6
[M+NH4]+ 598.51532 255.5
[M+K]+ 619.44466 242.7
[M+H-H2O]+ 563.47876 238.9
[M+HCOO]- 625.47970 271.2
[M+CH3COO]- 639.49535 264.1
[M+Na-2H]- 601.45617 240.7
[M]+ 580.48095 253.5
[M]- 580.48205 253.5
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