CID 3051512

67466-18-6

Structural Information

Molecular Formula
C15H22N2O5
SMILES
CCOC(=O)CN1C(=O)C(C(=O)NC1=O)(CC=C)CC(C)C
InChI
InChI=1S/C15H22N2O5/c1-5-7-15(8-10(3)4)12(19)16-14(21)17(13(15)20)9-11(18)22-6-2/h5,10H,1,6-9H2,2-4H3,(H,16,19,21)
InChIKey
QREBYGNETKBAMF-UHFFFAOYSA-N
Compound name
ethyl 2-[5-(2-methylpropyl)-2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.15286 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.16014 168.1
[M+Na]+ 333.14208 174.7
[M-H]- 309.14558 167.1
[M+NH4]+ 328.18668 181.7
[M+K]+ 349.11602 172.2
[M+H-H2O]+ 293.15012 162.1
[M+HCOO]- 355.15106 182.3
[M+CH3COO]- 369.16671 205.2
[M+Na-2H]- 331.12753 166.8
[M]+ 310.15231 169.6
[M]- 310.15341 169.6
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.