CID 53420104

Carbamic acid, [5-(tetrahydro-3,6-dioxo-2h-1,2-oxazin-2-yl)pentyl]-, benzyl ester

Structural Information

Molecular Formula
C17H22N2O5
SMILES
C1CC(=O)ON(C1=O)CCCCCNC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C17H22N2O5/c20-15-9-10-16(21)24-19(15)12-6-2-5-11-18-17(22)23-13-14-7-3-1-4-8-14/h1,3-4,7-8H,2,5-6,9-13H2,(H,18,22)
InChIKey
IEDULNJLEXNUPP-UHFFFAOYSA-N
Compound name
benzyl N-[5-(3,6-dioxooxazinan-2-yl)pentyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

334.15286 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.16014 178.4
[M+Na]+ 357.14208 181.8
[M-H]- 333.14558 183.0
[M+NH4]+ 352.18668 188.4
[M+K]+ 373.11602 180.3
[M+H-H2O]+ 317.15012 168.7
[M+HCOO]- 379.15106 196.8
[M+CH3COO]- 393.16671 209.9
[M+Na-2H]- 355.12753 180.8
[M]+ 334.15231 179.7
[M]- 334.15341 179.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe