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]+ 406.19725 194.1
[M+Na]+ 428.17919 197.9
[M-H]- 404.18269 195.5
[M+NH4]+ 423.22379 202.4
[M+K]+ 444.15313 195.6
[M+H-H2O]+ 388.18723 185.5
[M+HCOO]- 450.18817 207.3
[M+CH3COO]- 464.20382 224.8
[M+Na-2H]- 426.16464 191.2
[M]+ 405.18942 194.5
[M]- 405.19052 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.