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]+ 318.17000 174.9
[M+Na]+ 340.15194 182.9
[M-H]- 316.15544 181.7
[M+NH4]+ 335.19654 190.1
[M+K]+ 356.12588 182.2
[M+H-H2O]+ 300.15998 167.2
[M+HCOO]- 362.16092 197.0
[M+CH3COO]- 376.17657 215.9
[M+Na-2H]- 338.13739 178.0
[M]+ 317.16217 183.1
[M]- 317.16327 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.