CID 46491

64038-13-7

Structural Information

Molecular Formula
C17H21N3O6
SMILES
CCC1(C(=O)NC(=O)N(C1=O)CC(COC)OC(=O)N)C2=CC=CC=C2
InChI
InChI=1S/C17H21N3O6/c1-3-17(11-7-5-4-6-8-11)13(21)19-16(24)20(14(17)22)9-12(10-25-2)26-15(18)23/h4-8,12H,3,9-10H2,1-2H3,(H2,18,23)(H,19,21,24)
InChIKey
MQQPFLVCCBPWTI-UHFFFAOYSA-N
Compound name
[1-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)-3-methoxypropan-2-yl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.14304 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.15032 183.0
[M+Na]+ 386.13226 191.0
[M+NH4]+ 381.17686 186.7
[M+K]+ 402.10620 186.5
[M-H]- 362.13576 181.9
[M+Na-2H]- 384.11771 185.9
[M]+ 363.14249 183.2
[M]- 363.14359 183.2
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.