CID 46485

64038-08-0

Structural Information

Molecular Formula
C18H23N3O6
SMILES
CCC1(C(=O)NC(=O)N(C1=O)CC(COCC)OC(=O)N)C2=CC=CC=C2
InChI
InChI=1S/C18H23N3O6/c1-3-18(12-8-6-5-7-9-12)14(22)20-17(25)21(15(18)23)10-13(11-26-4-2)27-16(19)24/h5-9,13H,3-4,10-11H2,1-2H3,(H2,19,24)(H,20,22,25)
InChIKey
UNPWLFIDFLLMKR-UHFFFAOYSA-N
Compound name
[1-ethoxy-3-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)propan-2-yl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.1587 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.16598 186.1
[M+Na]+ 400.14792 191.0
[M-H]- 376.15142 187.7
[M+NH4]+ 395.19252 195.6
[M+K]+ 416.12186 188.4
[M+H-H2O]+ 360.15596 177.5
[M+HCOO]- 422.15690 200.9
[M+CH3COO]- 436.17255 218.0
[M+Na-2H]- 398.13337 185.2
[M]+ 377.15815 186.3
[M]- 377.15925 186.3
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.