CID 103041

Benzoxazole, 2-[4-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-

Structural Information

Molecular Formula
C24H17N3O2
SMILES
CC1=NOC(=N1)C2=CC=C(C=C2)C=CC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4
InChI
InChI=1S/C24H17N3O2/c1-16-25-24(29-27-16)20-14-10-18(11-15-20)7-6-17-8-12-19(13-9-17)23-26-21-4-2-3-5-22(21)28-23/h2-15H,1H3
InChIKey
YDADFDRLKYUBEW-UHFFFAOYSA-N
Compound name
2-[4-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

30
Patents

379.13208 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.13936 190.9
[M+Na]+ 402.12130 202.0
[M-H]- 378.12480 203.3
[M+NH4]+ 397.16590 200.1
[M+K]+ 418.09524 196.5
[M+H-H2O]+ 362.12934 180.4
[M+HCOO]- 424.13028 211.5
[M+CH3COO]- 438.14593 202.2
[M+Na-2H]- 400.10675 192.9
[M]+ 379.13153 195.9
[M]- 379.13263 195.9
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