CID 46489

64038-11-5

Structural Information

Molecular Formula
C20H27N3O6
SMILES
CCC1(C(=O)NC(=O)N(C1=O)CC(COCC(C)C)OC(=O)N)C2=CC=CC=C2
InChI
InChI=1S/C20H27N3O6/c1-4-20(14-8-6-5-7-9-14)16(24)22-19(27)23(17(20)25)10-15(29-18(21)26)12-28-11-13(2)3/h5-9,13,15H,4,10-12H2,1-3H3,(H2,21,26)(H,22,24,27)
InChIKey
SFZKMHDKOKGUPG-UHFFFAOYSA-N
Compound name
[1-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)-3-(2-methylpropoxy)propan-2-yl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.18997 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.197246 194.1
[M+Na]+ 428.179188 197.9
[M-H]- 404.182694 195.5
[M+NH4]+ 423.223793 202.4
[M+K]+ 444.153128 195.6
[M+H-H2O]+ 388.187230 185.5
[M+HCOO]- 450.188171 207.3
[M+CH3COO]- 464.203821 224.8
[M+Na-2H]- 426.164636 191.2
[M]+ 405.18942142 194.5
[M]- 405.19051858 194.5
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

No patent data available for this compound.