CID 3056433

73771-75-2

Structural Information

Molecular Formula
C18H23NO4
SMILES
CCN(CC)CCOC(=O)C1=CC=CC2=C1OC(=C(C2=O)C)C
InChI
InChI=1S/C18H23NO4/c1-5-19(6-2)10-11-22-18(21)15-9-7-8-14-16(20)12(3)13(4)23-17(14)15/h7-9H,5-6,10-11H2,1-4H3
InChIKey
CSCNEEUNJJZDRW-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2,3-dimethyl-4-oxochromene-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.16272 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.169996 174.9
[M+Na]+ 340.151938 182.9
[M-H]- 316.155444 181.7
[M+NH4]+ 335.196543 190.1
[M+K]+ 356.125878 182.2
[M+H-H2O]+ 300.159980 167.2
[M+HCOO]- 362.160921 197.0
[M+CH3COO]- 376.176571 215.9
[M+Na-2H]- 338.137386 178.0
[M]+ 317.16217142 183.1
[M]- 317.16326858 183.1
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.