CID 15538560

34564-13-1

Structural Information

Molecular Formula
C21H20N2O3
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=C(O3)C=CC(=C4)C
InChI
InChI=1S/C21H20N2O3/c1-4-23(5-2)15-8-7-14-11-16(21(24)26-19(14)12-15)20-22-17-10-13(3)6-9-18(17)25-20/h6-12H,4-5H2,1-3H3
InChIKey
PTAGJQADNFQMGR-UHFFFAOYSA-N
Compound name
7-(diethylamino)-3-(5-methyl-1,3-benzoxazol-2-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

348.1474 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.15468 181.9
[M+Na]+ 371.13662 199.1
[M+NH4]+ 366.18122 190.3
[M+K]+ 387.11056 192.9
[M-H]- 347.14012 190.4
[M+Na-2H]- 369.12207 189.1
[M]+ 348.14685 187.1
[M]- 348.14795 187.1
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