CID 3056437

73771-77-4

Structural Information

Molecular Formula
C18H21NO5
SMILES
CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCOCC3)C
InChI
InChI=1S/C18H21NO5/c1-12-13(2)24-17-14(16(12)20)4-3-5-15(17)18(21)23-11-8-19-6-9-22-10-7-19/h3-5H,6-11H2,1-2H3
InChIKey
PHARRSJALTWOLK-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl 2,3-dimethyl-4-oxochromene-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.14197 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.149246 177.1
[M+Na]+ 354.131188 184.0
[M-H]- 330.134694 184.2
[M+NH4]+ 349.175793 187.8
[M+K]+ 370.105128 183.3
[M+H-H2O]+ 314.139230 167.8
[M+HCOO]- 376.140171 192.6
[M+CH3COO]- 390.155821 209.9
[M+Na-2H]- 352.116636 180.5
[M]+ 331.14142142 180.3
[M]- 331.14251858 180.3
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

No patent data available for this compound.