CID 5332173

17233-65-7

Structural Information

Molecular Formula
C18H14N2O2
SMILES
CC1=CC2=C(C=C1)OC(=N2)/C=C/C3=NC4=C(O3)C=CC(=C4)C
InChI
InChI=1S/C18H14N2O2/c1-11-3-5-15-13(9-11)19-17(21-15)7-8-18-20-14-10-12(2)4-6-16(14)22-18/h3-10H,1-2H3/b8-7+
InChIKey
VKRZNAWSCAUDRQ-BQYQJAHWSA-N
Compound name
5-methyl-2-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

309
Patents

290.10553 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11281 164.2
[M+Na]+ 313.09475 182.1
[M+NH4]+ 308.13935 173.0
[M+K]+ 329.06869 177.6
[M-H]- 289.09825 171.1
[M+Na-2H]- 311.08020 171.6
[M]+ 290.10498 169.0
[M]- 290.10608 169.0
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