CID 102253

2397-00-4

Structural Information

Molecular Formula
C30H22N2O2
SMILES
CC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)C=CC4=CC=C(C=C4)C5=NC6=C(O5)C=CC(=C6)C
InChI
InChI=1S/C30H22N2O2/c1-19-3-15-27-25(17-19)31-29(33-27)23-11-7-21(8-12-23)5-6-22-9-13-24(14-10-22)30-32-26-18-20(2)4-16-28(26)34-30/h3-18H,1-2H3
InChIKey
OKEZAUMKBWTTCR-UHFFFAOYSA-N
Compound name
5-methyl-2-[4-[2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4570
Patents

442.16812 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.17540 211.8
[M+Na]+ 465.15734 224.0
[M-H]- 441.16084 226.7
[M+NH4]+ 460.20194 221.0
[M+K]+ 481.13128 217.2
[M+H-H2O]+ 425.16538 201.3
[M+HCOO]- 487.16632 232.2
[M+CH3COO]- 501.18197 222.5
[M+Na-2H]- 463.14279 212.2
[M]+ 442.16757 218.8
[M]- 442.16867 218.8
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