CID 47139

Go 550

Structural Information

Molecular Formula
C19H23N3O6
SMILES
CCC1(C(=O)NC(=O)N(C1=O)CC(COCC=C)OC(=O)N)C2=CC=CC=C2
InChI
InChI=1S/C19H23N3O6/c1-3-10-27-12-14(28-17(20)25)11-22-16(24)19(4-2,15(23)21-18(22)26)13-8-6-5-7-9-13/h3,5-9,14H,1,4,10-12H2,2H3,(H2,20,25)(H,21,23,26)
InChIKey
DRSVGLLDZUUUMK-UHFFFAOYSA-N
Compound name
[1-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)-3-prop-2-enoxypropan-2-yl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.1587 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.16598 189.0
[M+Na]+ 412.14792 193.8
[M-H]- 388.15142 190.5
[M+NH4]+ 407.19252 198.0
[M+K]+ 428.12186 190.4
[M+H-H2O]+ 372.15596 180.3
[M+HCOO]- 434.15690 203.7
[M+CH3COO]- 448.17255 220.2
[M+Na-2H]- 410.13337 187.7
[M]+ 389.15815 188.9
[M]- 389.15925 188.9
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.