CID 4293995

3-(diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3h)-one

Structural Information

Molecular Formula
C11H14N3O5P
SMILES
CCOP(=O)(OCC)ON1C(=O)C2=CC=CC=C2N=N1
InChI
InChI=1S/C11H14N3O5P/c1-3-17-20(16,18-4-2)19-14-11(15)9-7-5-6-8-10(9)12-13-14/h5-8H,3-4H2,1-2H3
InChIKey
AJDPNPAGZMZOMN-UHFFFAOYSA-N
Compound name
diethyl (4-oxo-1,2,3-benzotriazin-3-yl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

5893
Patents

299.0671 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.07438 165.3
[M+Na]+ 322.05632 174.2
[M-H]- 298.05982 164.8
[M+NH4]+ 317.10092 177.7
[M+K]+ 338.03026 172.9
[M+H-H2O]+ 282.06436 153.9
[M+HCOO]- 344.06530 189.4
[M+CH3COO]- 358.08095 201.5
[M+Na-2H]- 320.04177 171.3
[M]+ 299.06655 172.8
[M]- 299.06765 172.8
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