CID 18967

Morpholinoethyl 3-methylflavone-8-carboxylate hydrochloride

Structural Information

Molecular Formula
C23H23NO5
SMILES
CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCOCC3)C4=CC=CC=C4
InChI
InChI=1S/C23H23NO5/c1-16-20(25)18-8-5-9-19(22(18)29-21(16)17-6-3-2-4-7-17)23(26)28-15-12-24-10-13-27-14-11-24/h2-9H,10-15H2,1H3
InChIKey
BFHKLVWZDHRVQW-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

393.15762 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.16490 194.7
[M+Na]+ 416.14684 200.5
[M-H]- 392.15034 204.4
[M+NH4]+ 411.19144 201.9
[M+K]+ 432.12078 198.5
[M+H-H2O]+ 376.15488 183.3
[M+HCOO]- 438.15582 209.5
[M+CH3COO]- 452.17147 203.7
[M+Na-2H]- 414.13229 197.4
[M]+ 393.15707 196.5
[M]- 393.15817 196.5
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