CID 6436303

1552-46-1

Structural Information

Molecular Formula
C24H18N2O2
SMILES
CC1=CC2=C(C=C1)OC(=N2)/C=C/C3=CC=C(C=C3)C4=NC5=C(O4)C=CC(=C5)C
InChI
InChI=1S/C24H18N2O2/c1-15-3-10-21-19(13-15)25-23(27-21)12-7-17-5-8-18(9-6-17)24-26-20-14-16(2)4-11-22(20)28-24/h3-14H,1-2H3/b12-7+
InChIKey
UYEBVQUTQHTYOU-KPKJPENVSA-N
Compound name
5-methyl-2-[4-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

366.13684 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.14412 186.4
[M+Na]+ 389.12606 206.3
[M+NH4]+ 384.17066 195.4
[M+K]+ 405.10000 200.2
[M-H]- 365.12956 196.1
[M+Na-2H]- 387.11151 195.8
[M]+ 366.13629 192.5
[M]- 366.13739 192.5
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