CID 3071997

3,5-dihydro-5-methyl-(1,2,4)triazino(3,4-c)(1,4)benzoxazin-2(1h)-one

Structural Information

Molecular Formula
C11H11N3O2
SMILES
CC1C2=NNC(=O)CN2C3=CC=CC=C3O1
InChI
InChI=1S/C11H11N3O2/c1-7-11-13-12-10(15)6-14(11)8-4-2-3-5-9(8)16-7/h2-5,7H,6H2,1H3,(H,12,15)
InChIKey
WJKGDWAEPLNYSH-UHFFFAOYSA-N
Compound name
5-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.08513 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09241 147.7
[M+Na]+ 240.07435 156.7
[M-H]- 216.07785 148.1
[M+NH4]+ 235.11895 162.2
[M+K]+ 256.04829 153.2
[M+H-H2O]+ 200.08239 138.9
[M+HCOO]- 262.08333 160.9
[M+CH3COO]- 276.09898 158.7
[M+Na-2H]- 238.05980 155.8
[M]+ 217.08458 145.1
[M]- 217.08568 145.1
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.