CID 604269

Oxazole, 2,2'-(1,3-phenylene)bis[4,5-dihydro-

Structural Information

Molecular Formula
C12H12N2O2
SMILES
C1COC(=N1)C2=CC(=CC=C2)C3=NCCO3
InChI
InChI=1S/C12H12N2O2/c1-2-9(11-13-4-6-15-11)8-10(3-1)12-14-5-7-16-12/h1-3,8H,4-7H2
InChIKey
HMOZDINWBHMBSQ-UHFFFAOYSA-N
Compound name
2-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

6226
Patents

216.08987 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 144.0
[M+Na]+ 239.07909 151.6
[M-H]- 215.08259 152.4
[M+NH4]+ 234.12369 160.1
[M+K]+ 255.05303 151.3
[M+H-H2O]+ 199.08713 136.2
[M+HCOO]- 261.08807 165.0
[M+CH3COO]- 275.10372 157.3
[M+Na-2H]- 237.06454 148.3
[M]+ 216.08932 144.0
[M]- 216.09042 144.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe