CID 54693275

Nsc649811

Structural Information

Molecular Formula
C21H10ClNO7
SMILES
C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC(=O)C(=O)C3=C(C4=CC=CC=C4OC3=O)O
InChI
InChI=1S/C21H10ClNO7/c22-14-15(18(26)10-6-2-1-5-9(10)17(14)25)23-20(28)19(27)13-16(24)11-7-3-4-8-12(11)30-21(13)29/h1-8,24H,(H,23,28)
InChIKey
DIVJMFVRDQHKSS-UHFFFAOYSA-N
Compound name
N-(3-chloro-1,4-dioxonaphthalen-2-yl)-2-(4-hydroxy-2-oxochromen-3-yl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

423.0146 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.02188 190.1
[M+Na]+ 446.00382 200.6
[M-H]- 422.00732 199.1
[M+NH4]+ 441.04842 200.5
[M+K]+ 461.97776 197.1
[M+H-H2O]+ 406.01186 182.2
[M+HCOO]- 468.01280 204.0
[M+CH3COO]- 482.02845 227.8
[M+Na-2H]- 443.98927 193.6
[M]+ 423.01405 196.5
[M]- 423.01515 196.5
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

No patent data available for this compound.