CID 10430905

160291-54-3

Structural Information

Molecular Formula
C21H23N3O5
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NCCCN3C(=O)C=CC3=O
InChI
InChI=1S/C21H23N3O5/c1-3-23(4-2)15-7-6-14-12-16(21(28)29-17(14)13-15)20(27)22-10-5-11-24-18(25)8-9-19(24)26/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,27)
InChIKey
PHFIKYNYJRZPND-UHFFFAOYSA-N
Compound name
7-(diethylamino)-N-[3-(2,5-dioxopyrrol-1-yl)propyl]-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

397.16376 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.17104 194.3
[M+Na]+ 420.15298 201.1
[M-H]- 396.15648 202.9
[M+NH4]+ 415.19758 205.5
[M+K]+ 436.12692 198.9
[M+H-H2O]+ 380.16102 185.2
[M+HCOO]- 442.16196 216.2
[M+CH3COO]- 456.17761 231.0
[M+Na-2H]- 418.13843 194.9
[M]+ 397.16321 200.4
[M]- 397.16431 200.4
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

patents stripe