CID 172305

Molinazone

Structural Information

Molecular Formula
C11H12N4O2
SMILES
C1COCCN1N2C(=O)C3=CC=CC=C3N=N2
InChI
InChI=1S/C11H12N4O2/c16-11-9-3-1-2-4-10(9)12-13-15(11)14-5-7-17-8-6-14/h1-4H,5-8H2
InChIKey
MSBSMNOJAAJSGG-UHFFFAOYSA-N
Compound name
3-morpholin-4-yl-1,2,3-benzotriazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

600
Patents

232.09602 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.10330 151.7
[M+Na]+ 255.08524 160.2
[M-H]- 231.08874 154.0
[M+NH4]+ 250.12984 163.2
[M+K]+ 271.05918 157.1
[M+H-H2O]+ 215.09328 140.8
[M+HCOO]- 277.09422 166.6
[M+CH3COO]- 291.10987 162.5
[M+Na-2H]- 253.07069 160.1
[M]+ 232.09547 149.5
[M]- 232.09657 149.5
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.