CID 30451

Brn 1149753

Structural Information

Molecular Formula
C11H13N3O5
SMILES
C1C2=C(CON1CCOC(=O)N)C=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H13N3O5/c12-11(15)18-4-3-13-6-8-1-2-10(14(16)17)5-9(8)7-19-13/h1-2,5H,3-4,6-7H2,(H2,12,15)
InChIKey
CVGRWCDFXQGLOY-UHFFFAOYSA-N
Compound name
2-(7-nitro-1,4-dihydro-2,3-benzoxazin-3-yl)ethyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.0855 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09278 154.8
[M+Na]+ 290.07472 165.6
[M+NH4]+ 285.11932 160.9
[M+K]+ 306.04866 164.4
[M-H]- 266.07822 158.0
[M+Na-2H]- 288.06017 157.6
[M]+ 267.08495 156.8
[M]- 267.08605 156.8
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.