CID 5761587

24675-13-6

Structural Information

Molecular Formula
C17H16N2O
SMILES
CN(C)C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3O2
InChI
InChI=1S/C17H16N2O/c1-19(2)14-10-7-13(8-11-14)9-12-17-18-15-5-3-4-6-16(15)20-17/h3-12H,1-2H3/b12-9+
InChIKey
DQOPDYYQICTYEY-FMIVXFBMSA-N
Compound name
4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

324
Patents

264.12625 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.13353 160.5
[M+Na]+ 287.11547 176.2
[M+NH4]+ 282.16007 169.7
[M+K]+ 303.08941 169.6
[M-H]- 263.11897 167.4
[M+Na-2H]- 285.10092 169.8
[M]+ 264.12570 164.9
[M]- 264.12680 164.9
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