CID 118870

2h-1-benzopyran-2-one, 3-(2-benzoxazolyl)-7-(diethylamino)-

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

155
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 179.0
[M+Na]+ 357.12096 189.8
[M-H]- 333.12446 189.9
[M+NH4]+ 352.16556 193.1
[M+K]+ 373.09490 187.6
[M+H-H2O]+ 317.12900 170.1
[M+HCOO]- 379.12994 201.9
[M+CH3COO]- 393.14559 191.8
[M+Na-2H]- 355.10641 185.6
[M]+ 334.13119 187.0
[M]- 334.13229 187.0
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