CID 3071993

(1,2,4)triazino(3,4-c)(1,4)benzoxazin-2(1h)-one, 3,5-dihydro-7-methyl-

Structural Information

Molecular Formula
C11H11N3O2
SMILES
CC1=C2C(=CC=C1)N3CC(=O)NN=C3CO2
InChI
InChI=1S/C11H11N3O2/c1-7-3-2-4-8-11(7)16-6-9-12-13-10(15)5-14(8)9/h2-4H,5-6H2,1H3,(H,13,15)
InChIKey
SGUIJBHJRLMTRK-UHFFFAOYSA-N
Compound name
7-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 148.2
[M+Na]+ 240.07435 162.3
[M+NH4]+ 235.11895 156.1
[M+K]+ 256.04829 156.0
[M-H]- 216.07785 150.5
[M+Na-2H]- 238.05980 152.3
[M]+ 217.08458 150.7
[M]- 217.08568 150.7
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.