CID 322320

Nsc279262

Structural Information

Molecular Formula
C15H13N3O3
SMILES
COC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=N2
InChI
InChI=1S/C15H13N3O3/c1-20-10-7-8-14(21-2)13(9-10)18-15(19)11-5-3-4-6-12(11)16-17-18/h3-9H,1-2H3
InChIKey
SBTGGNVQVLRQCC-UHFFFAOYSA-N
Compound name
3-(2,5-dimethoxyphenyl)-1,2,3-benzotriazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.0957 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.102976 164.3
[M+Na]+ 306.084918 175.4
[M-H]- 282.088424 168.6
[M+NH4]+ 301.129523 177.1
[M+K]+ 322.058858 170.9
[M+H-H2O]+ 266.092960 153.8
[M+HCOO]- 328.093901 184.5
[M+CH3COO]- 342.109551 176.2
[M+Na-2H]- 304.070366 171.9
[M]+ 283.09515142 168.8
[M]- 283.09624858 168.8
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.