CID 515964

Sars-cov-2-in-18

Structural Information

Molecular Formula

C₂₀H₁₄N₂O₃

SMILES

C1=CC=C2C=C(C=CC2=C1)CN3C4=C(C=C(C=C4)C(=O)N)C(=O)C3=O

InChI

InChI=1S/C20H14N2O3/c21-19(24)15-7-8-17-16(10-15)18(23)20(25)22(17)11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10H,11H2,(H2,21,24)

InChIKey

NTNYHMJYSGPGCQ-UHFFFAOYSA-N

Compound name

1-(naphthalen-2-ylmethyl)-2,3-dioxoindole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 1
Patents: 330.10043 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	331.10771	176.1
[M+Na]+	353.08965	185.4
[M-H]-	329.09315	183.5
[M+NH4]+	348.13425	191.8
[M+K]+	369.06359	179.3
[M+H-H2O]+	313.09769	167.7
[M+HCOO]-	375.09863	196.3
[M+CH3COO]-	389.11428	187.3
[M+Na-2H]-	351.07510	178.2
[M]+	330.09988	176.5
[M]-	330.10098	176.5

Literature stripe

literature stripe

Patent stripe

patents stripe