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

1
Patents

389.1587 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.165976 189.0
[M+Na]+ 412.147918 193.8
[M-H]- 388.151424 190.5
[M+NH4]+ 407.192523 198.0
[M+K]+ 428.121858 190.4
[M+H-H2O]+ 372.155960 180.3
[M+HCOO]- 434.156901 203.7
[M+CH3COO]- 448.172551 220.2
[M+Na-2H]- 410.133366 187.7
[M]+ 389.15815142 188.9
[M]- 389.15924858 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

patents stripe