CID 3060517

Brn 4450751

Structural Information

Molecular Formula
C11H11N3O
SMILES
C1COCC2=NN=C(N21)C3=CC=CC=C3
InChI
InChI=1S/C11H11N3O/c1-2-4-9(5-3-1)11-13-12-10-8-15-7-6-14(10)11/h1-5H,6-8H2
InChIKey
MIDOTNANWUWDSU-UHFFFAOYSA-N
Compound name
3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.09021 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.09749 141.8
[M+Na]+ 224.07943 150.1
[M-H]- 200.08293 145.7
[M+NH4]+ 219.12403 157.9
[M+K]+ 240.05337 147.7
[M+H-H2O]+ 184.08747 132.6
[M+HCOO]- 246.08841 160.2
[M+CH3COO]- 260.10406 154.2
[M+Na-2H]- 222.06488 149.3
[M]+ 201.08966 140.4
[M]- 201.09076 140.4
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.