CID 2760552

139346-57-9

Structural Information

Molecular Formula
C18H18N2O6
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)ON3C(=O)CCC3=O
InChI
InChI=1S/C18H18N2O6/c1-3-19(4-2)12-6-5-11-9-13(17(23)25-14(11)10-12)18(24)26-20-15(21)7-8-16(20)22/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKey
NUNPVRICKDZFLK-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 7-(diethylamino)-2-oxochromene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

279
Patents

358.1165 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.123776 179.1
[M+Na]+ 381.105718 187.0
[M-H]- 357.109224 187.9
[M+NH4]+ 376.150323 192.2
[M+K]+ 397.079658 186.3
[M+H-H2O]+ 341.113760 171.0
[M+HCOO]- 403.114701 199.9
[M+CH3COO]- 417.130351 219.5
[M+Na-2H]- 379.091166 180.0
[M]+ 358.11595142 185.0
[M]- 358.11704858 185.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe