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]+ 265.108376 159.3
[M+Na]+ 287.090318 166.9
[M-H]- 263.093824 162.5
[M+NH4]+ 282.134923 171.7
[M+K]+ 303.064258 161.5
[M+H-H2O]+ 247.098360 148.6
[M+HCOO]- 309.099301 179.4
[M+CH3COO]- 323.114951 169.9
[M+Na-2H]- 285.075766 169.0
[M]+ 264.10055142 158.5
[M]- 264.10164858 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.