CID 157346

Brn 5751899

Structural Information

Molecular Formula
C14H16N4O
SMILES
C1CCN(CC1)C(=O)CC2=NC3=CC=CC=C3N=N2
InChI
InChI=1S/C14H16N4O/c19-14(18-8-4-1-5-9-18)10-13-15-11-6-2-3-7-12(11)16-17-13/h2-3,6-7H,1,4-5,8-10H2
InChIKey
CTNGZFVDTUDORJ-UHFFFAOYSA-N
Compound name
2-(1,2,4-benzotriazin-3-yl)-1-piperidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.13242 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.13970 160.7
[M+Na]+ 279.12164 166.5
[M-H]- 255.12514 161.5
[M+NH4]+ 274.16624 172.1
[M+K]+ 295.09558 161.8
[M+H-H2O]+ 239.12968 149.3
[M+HCOO]- 301.13062 174.3
[M+CH3COO]- 315.14627 169.8
[M+Na-2H]- 277.10709 166.9
[M]+ 256.13187 156.4
[M]- 256.13297 156.4
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.