CID 158349

156571-46-9

Structural Information

Molecular Formula
C20H21N3O5
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NCCN3C(=O)C=CC3=O
InChI
InChI=1S/C20H21N3O5/c1-3-22(4-2)14-6-5-13-11-15(20(27)28-16(13)12-14)19(26)21-9-10-23-17(24)7-8-18(23)25/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,26)
InChIKey
IXQPRUQVJIJUEB-UHFFFAOYSA-N
Compound name
7-(diethylamino)-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

26
References

637
Patents

383.14813 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.15541 189.7
[M+Na]+ 406.13735 200.3
[M+NH4]+ 401.18195 194.2
[M+K]+ 422.11129 197.3
[M-H]- 382.14085 193.4
[M+Na-2H]- 404.12280 192.9
[M]+ 383.14758 191.8
[M]- 383.14868 191.8
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