CID 3059926

1,2,4-benzotriazine-3-acetamide, n-phenyl-

Structural Information

Molecular Formula
C15H12N4O
SMILES
C1=CC=C(C=C1)NC(=O)CC2=NC3=CC=CC=C3N=N2
InChI
InChI=1S/C15H12N4O/c20-15(16-11-6-2-1-3-7-11)10-14-17-12-8-4-5-9-13(12)18-19-14/h1-9H,10H2,(H,16,20)
InChIKey
RIOOHWQOIMMGGV-UHFFFAOYSA-N
Compound name
2-(1,2,4-benzotriazin-3-yl)-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1011 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.10838 159.3
[M+Na]+ 287.09032 166.9
[M-H]- 263.09382 162.5
[M+NH4]+ 282.13492 171.7
[M+K]+ 303.06426 161.5
[M+H-H2O]+ 247.09836 148.6
[M+HCOO]- 309.09930 179.4
[M+CH3COO]- 323.11495 169.9
[M+Na-2H]- 285.07577 169.0
[M]+ 264.10055 158.5
[M]- 264.10165 158.5
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.