CID 71374862

71838-87-4

Structural Information

Molecular Formula
C21H20N2O3
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=C(C=CC=C4O3)C
InChI
InChI=1S/C21H20N2O3/c1-4-23(5-2)15-10-9-14-11-16(21(24)26-18(14)12-15)20-22-19-13(3)7-6-8-17(19)25-20/h6-12H,4-5H2,1-3H3
InChIKey
GBRZECSNJCRTSN-UHFFFAOYSA-N
Compound name
7-(diethylamino)-3-(4-methyl-1,3-benzoxazol-2-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 184.6
[M+Na]+ 371.13662 195.8
[M-H]- 347.14012 195.7
[M+NH4]+ 366.18122 198.4
[M+K]+ 387.11056 193.4
[M+H-H2O]+ 331.14466 175.6
[M+HCOO]- 393.14560 207.0
[M+CH3COO]- 407.16125 197.3
[M+Na-2H]- 369.12207 189.8
[M]+ 348.14685 193.3
[M]- 348.14795 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