CID 3061302

Brn 4697245

Structural Information

Molecular Formula
C11H13N3O3
SMILES
CCOC(=O)NNC1=NC2=CC=CC=C2OC1
InChI
InChI=1S/C11H13N3O3/c1-2-16-11(15)14-13-10-7-17-9-6-4-3-5-8(9)12-10/h3-6H,2,7H2,1H3,(H,12,13)(H,14,15)
InChIKey
XGQZYOANBRSIPE-UHFFFAOYSA-N
Compound name
ethyl N-(2H-1,4-benzoxazin-3-ylamino)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.09569 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10297 151.5
[M+Na]+ 258.08491 162.4
[M+NH4]+ 253.12951 158.5
[M+K]+ 274.05885 157.2
[M-H]- 234.08841 154.8
[M+Na-2H]- 256.07036 156.6
[M]+ 235.09514 153.6
[M]- 235.09624 153.6
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.