CID 118870

35773-42-3

Structural Information

Molecular Formula
C20H18N2O3
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4O3
InChI
InChI=1S/C20H18N2O3/c1-3-22(4-2)14-10-9-13-11-15(20(23)25-18(13)12-14)19-21-16-7-5-6-8-17(16)24-19/h5-12H,3-4H2,1-2H3
InChIKey
UJOQSHCJYVRZKJ-UHFFFAOYSA-N
Compound name
3-(1,3-benzoxazol-2-yl)-7-(diethylamino)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

129
Patents

334.13174 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.13902 177.0
[M+Na]+ 357.12096 194.1
[M+NH4]+ 352.16556 185.6
[M+K]+ 373.09490 188.0
[M-H]- 333.12446 185.4
[M+Na-2H]- 355.10641 184.8
[M]+ 334.13119 182.1
[M]- 334.13229 182.1
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