CID 44508

Coumarin, 7,8-dimethoxy-6-(2-hydroxy-3-morpholinopropoxy)-4-methyl-, hydrochloride

Structural Information

Molecular Formula
C19H25NO7
SMILES
CC1=CC(=O)OC2=C(C(=C(C=C12)OCC(CN3CCOCC3)O)OC)OC
InChI
InChI=1S/C19H25NO7/c1-12-8-16(22)27-17-14(12)9-15(18(23-2)19(17)24-3)26-11-13(21)10-20-4-6-25-7-5-20/h8-9,13,21H,4-7,10-11H2,1-3H3
InChIKey
VVOATOIJMOZBDI-UHFFFAOYSA-N
Compound name
6-(2-hydroxy-3-morpholin-4-ylpropoxy)-7,8-dimethoxy-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.16312 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.17040 188.2
[M+Na]+ 402.15234 194.2
[M-H]- 378.15584 194.1
[M+NH4]+ 397.19694 196.2
[M+K]+ 418.12628 194.7
[M+H-H2O]+ 362.16038 178.6
[M+HCOO]- 424.16132 201.9
[M+CH3COO]- 438.17697 217.9
[M+Na-2H]- 400.13779 190.4
[M]+ 379.16257 194.1
[M]- 379.16367 194.1
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

No patent data available for this compound.