CID 12949

Brn 0767447

Structural Information

Molecular Formula
C22H28N2O3
SMILES
C1CCC(CC1)N2C(=O)C(C(=O)N(C2=O)C3CCCCC3)C4=CC=CC=C4
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/h1,4-5,10-11,17-19H,2-3,6-9,12-15H2
InChIKey
VHHKYYKWQDTBFM-UHFFFAOYSA-N
Compound name
1,3-dicyclohexyl-5-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

368.21 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.21728 192.7
[M+Na]+ 391.19922 204.6
[M+NH4]+ 386.24382 199.6
[M+K]+ 407.17316 196.8
[M-H]- 367.20272 198.8
[M+Na-2H]- 389.18467 198.7
[M]+ 368.20945 195.9
[M]- 368.21055 195.9
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

patents stripe