CID 3516917

113721-87-2

Structural Information

Molecular Formula
C16H14N2O6
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2)N)CC(=O)ON3C(=O)CCC3=O
InChI
InChI=1S/C16H14N2O6/c1-8-10-3-2-9(17)6-12(10)23-16(22)11(8)7-15(21)24-18-13(19)4-5-14(18)20/h2-3,6H,4-5,7,17H2,1H3
InChIKey
ILKQVTIMOGNSAS-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 2-(7-amino-4-methyl-2-oxochromen-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

338
Patents

330.08517 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.09245 172.7
[M+Na]+ 353.07439 183.9
[M+NH4]+ 348.11899 177.5
[M+K]+ 369.04833 182.1
[M-H]- 329.07789 175.3
[M+Na-2H]- 351.05984 175.0
[M]+ 330.08462 174.6
[M]- 330.08572 174.6
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