CID 13982

1,5-dicyclohexyl-3-phenylbarbituric acid

Structural Information

Molecular Formula
C22H28N2O3
SMILES
C1CCC(CC1)C2C(=O)N(C(=O)N(C2=O)C3=CC=CC=C3)C4CCCCC4
InChI
InChI=1S/C22H28N2O3/c25-20-19(16-10-4-1-5-11-16)21(26)24(18-14-8-3-9-15-18)22(27)23(20)17-12-6-2-7-13-17/h2,6-7,12-13,16,18-19H,1,3-5,8-11,14-15H2
InChIKey
MSVVAFKSLYXQNS-UHFFFAOYSA-N
Compound name
1,5-dicyclohexyl-3-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.21 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.21728 192.7
[M+Na]+ 391.19922 194.1
[M-H]- 367.20272 200.0
[M+NH4]+ 386.24382 200.5
[M+K]+ 407.17316 188.6
[M+H-H2O]+ 351.20726 180.2
[M+HCOO]- 413.20820 202.0
[M+CH3COO]- 427.22385 198.9
[M+Na-2H]- 389.18467 188.3
[M]+ 368.20945 181.1
[M]- 368.21055 181.1
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.