CID 364363

Nsc630374

Structural Information

Molecular Formula
C16H13N3O3
SMILES
C1=CC=C(C=C1)CCC(=O)ON2C(=O)C3=CC=CC=C3N=N2
InChI
InChI=1S/C16H13N3O3/c20-15(11-10-12-6-2-1-3-7-12)22-19-16(21)13-8-4-5-9-14(13)17-18-19/h1-9H,10-11H2
InChIKey
VZELLNGPUYTDMW-UHFFFAOYSA-N
Compound name
(4-oxo-1,2,3-benzotriazin-3-yl) 3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.0957 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.10298 166.8
[M+Na]+ 318.08492 175.6
[M-H]- 294.08842 170.3
[M+NH4]+ 313.12952 178.3
[M+K]+ 334.05886 170.8
[M+H-H2O]+ 278.09296 155.9
[M+HCOO]- 340.09390 185.9
[M+CH3COO]- 354.10955 177.5
[M+Na-2H]- 316.07037 174.4
[M]+ 295.09515 169.4
[M]- 295.09625 169.4
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.