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]+ 217.108376 147.5
[M+Na]+ 239.090318 155.8
[M-H]- 215.093824 149.4
[M+NH4]+ 234.134923 163.3
[M+K]+ 255.064258 153.7
[M+H-H2O]+ 199.098360 138.4
[M+HCOO]- 261.099301 168.2
[M+CH3COO]- 275.114951 193.8
[M+Na-2H]- 237.075766 156.0
[M]+ 216.10055142 149.4
[M]- 216.10164858 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.