CID 81929

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

Structural Information

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

6
References

4582
Patents

216.08987 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.097146 144.0
[M+Na]+ 239.079088 151.6
[M-H]- 215.082594 152.4
[M+NH4]+ 234.123693 160.1
[M+K]+ 255.053028 151.3
[M+H-H2O]+ 199.087130 136.2
[M+HCOO]- 261.088071 165.0
[M+CH3COO]- 275.103721 157.3
[M+Na-2H]- 237.064536 148.3
[M]+ 216.08932142 144.0
[M]- 216.09041858 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