CID 6436303

Einecs 216-294-0

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

183
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 189.3
[M+Na]+ 389.12606 202.4
[M-H]- 365.12956 201.5
[M+NH4]+ 384.17066 202.3
[M+K]+ 405.10000 196.9
[M+H-H2O]+ 349.13410 180.5
[M+HCOO]- 411.13504 211.2
[M+CH3COO]- 425.15069 201.8
[M+Na-2H]- 387.11151 192.3
[M]+ 366.13629 197.1
[M]- 366.13739 197.1
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