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 150.1
[M+Na]+ 258.08491 156.5
[M-H]- 234.08841 153.8
[M+NH4]+ 253.12951 165.7
[M+K]+ 274.05885 155.8
[M+H-H2O]+ 218.09295 142.1
[M+HCOO]- 280.09389 172.2
[M+CH3COO]- 294.10954 192.5
[M+Na-2H]- 256.07036 159.3
[M]+ 235.09514 150.8
[M]- 235.09624 150.8
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.