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]+ 332.14925 177.1
[M+Na]+ 354.13119 184.0
[M-H]- 330.13469 184.2
[M+NH4]+ 349.17579 187.8
[M+K]+ 370.10513 183.3
[M+H-H2O]+ 314.13923 167.8
[M+HCOO]- 376.14017 192.6
[M+CH3COO]- 390.15582 209.9
[M+Na-2H]- 352.11664 180.5
[M]+ 331.14142 180.3
[M]- 331.14252 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.