CID 3066995

N,n-dimethyl-1,2,4-benzotriazine-3-acetamide

Structural Information

Molecular Formula
C11H12N4O
SMILES
CN(C)C(=O)CC1=NC2=CC=CC=C2N=N1
InChI
InChI=1S/C11H12N4O/c1-15(2)11(16)7-10-12-8-5-3-4-6-9(8)13-14-10/h3-6H,7H2,1-2H3
InChIKey
YAUWGOOSYHTCFA-UHFFFAOYSA-N
Compound name
2-(1,2,4-benzotriazin-3-yl)-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.1011 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.10838 147.5
[M+Na]+ 239.09032 155.8
[M-H]- 215.09382 149.4
[M+NH4]+ 234.13492 163.3
[M+K]+ 255.06426 153.7
[M+H-H2O]+ 199.09836 138.4
[M+HCOO]- 261.09930 168.2
[M+CH3COO]- 275.11495 193.8
[M+Na-2H]- 237.07577 156.0
[M]+ 216.10055 149.4
[M]- 216.10165 149.4
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.