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

39
Patents

348.1474 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.154676 184.6
[M+Na]+ 371.136618 195.8
[M-H]- 347.140124 195.7
[M+NH4]+ 366.181223 198.4
[M+K]+ 387.110558 193.4
[M+H-H2O]+ 331.144660 175.6
[M+HCOO]- 393.145601 207.0
[M+CH3COO]- 407.161251 197.3
[M+Na-2H]- 369.122066 189.8
[M]+ 348.14685142 193.3
[M]- 348.14794858 193.3
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