CID 23651251

4-(5,6-dihydro-8h-imidazo[5,1-c][1,4]oxazin-8-yl)benzonitrile

Structural Information

Molecular Formula
C13H11N3O
SMILES
C1COC(C2=CN=CN21)C3=CC=C(C=C3)C#N
InChI
InChI=1S/C13H11N3O/c14-7-10-1-3-11(4-2-10)13-12-8-15-9-16(12)5-6-17-13/h1-4,8-9,13H,5-6H2
InChIKey
IJKYOGKSUQQEDO-UHFFFAOYSA-N
Compound name
4-(6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-8-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

203
Patents

225.09021 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09749 147.3
[M+Na]+ 248.07943 158.0
[M-H]- 224.08293 150.6
[M+NH4]+ 243.12403 162.0
[M+K]+ 264.05337 152.3
[M+H-H2O]+ 208.08747 131.9
[M+HCOO]- 270.08841 162.8
[M+CH3COO]- 284.10406 158.1
[M+Na-2H]- 246.06488 152.7
[M]+ 225.08966 141.1
[M]- 225.09076 141.1
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

patents stripe