CID 13982

1053-49-2

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]+ 369.217276 192.7
[M+Na]+ 391.199218 194.1
[M-H]- 367.202724 200.0
[M+NH4]+ 386.243823 200.5
[M+K]+ 407.173158 188.6
[M+H-H2O]+ 351.207260 180.2
[M+HCOO]- 413.208201 202.0
[M+CH3COO]- 427.223851 198.9
[M+Na-2H]- 389.184666 188.3
[M]+ 368.20945142 181.1
[M]- 368.21054858 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.