CID 112423

2h-1-benzopyran-4-carbonitrile, 7-(diethylamino)-3-(5-methyl-2-benzoxazolyl)-2-oxo-

Structural Information

Molecular Formula
C22H19N3O3
SMILES
CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C3=NC4=C(O3)C=CC(=C4)C)C#N
InChI
InChI=1S/C22H19N3O3/c1-4-25(5-2)14-7-8-15-16(12-23)20(22(26)28-19(15)11-14)21-24-17-10-13(3)6-9-18(17)27-21/h6-11H,4-5H2,1-3H3
InChIKey
CKIQLEUCLJONJL-UHFFFAOYSA-N
Compound name
7-(diethylamino)-3-(5-methyl-1,3-benzoxazol-2-yl)-2-oxochromene-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

373.14264 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.14992 192.5
[M+Na]+ 396.13186 208.3
[M+NH4]+ 391.17646 196.7
[M+K]+ 412.10580 198.8
[M-H]- 372.13536 192.4
[M+Na-2H]- 394.11731 195.6
[M]+ 373.14209 194.2
[M]- 373.14319 194.2
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