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]+ 284.10298 164.3
[M+Na]+ 306.08492 175.4
[M-H]- 282.08842 168.6
[M+NH4]+ 301.12952 177.1
[M+K]+ 322.05886 170.9
[M+H-H2O]+ 266.09296 153.8
[M+HCOO]- 328.09390 184.5
[M+CH3COO]- 342.10955 176.2
[M+Na-2H]- 304.07037 171.9
[M]+ 283.09515 168.8
[M]- 283.09625 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.