CID 24847209

Brn 4444880

Structural Information

Molecular Formula
C11H11N3O
SMILES
CCC1=NN=C2N1C3=CC=CC=C3OC2
InChI
InChI=1S/C11H11N3O/c1-2-10-12-13-11-7-15-9-6-4-3-5-8(9)14(10)11/h3-6H,2,7H2,1H3
InChIKey
FRHVPADGCVWGTN-UHFFFAOYSA-N
Compound name
1-ethyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.09021 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.09749 142.5
[M+Na]+ 224.07943 152.9
[M-H]- 200.08293 144.7
[M+NH4]+ 219.12403 160.4
[M+K]+ 240.05337 150.2
[M+H-H2O]+ 184.08747 134.3
[M+HCOO]- 246.08841 160.8
[M+CH3COO]- 260.10406 155.5
[M+Na-2H]- 222.06488 150.8
[M]+ 201.08966 144.3
[M]- 201.09076 144.3
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.