CID 1583

10556-88-4

Structural Information

Molecular Formula

C₂₀H₁₄N₂O₆

SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)OC3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H14N2O6/c23-19(24)14-11-12-18(17(13-14)22(26)27)28-20(25)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13H,(H,23,24)

InChIKey

RLNYDAFUTZRAIW-UHFFFAOYSA-N

Compound name

4-(diphenylcarbamoyloxy)-3-nitrobenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 45
References: 291
Patents: 378.08517 Da
Monoisotopic Mass: 4.2
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]+	379.09245	183.5
[M+Na]+	401.07439	196.9
[M+NH4]+	396.11899	189.2
[M+K]+	417.04833	194.2
[M-H]-	377.07789	189.9
[M+Na-2H]-	399.05984	192.8
[M]+	378.08462	186.9
[M]-	378.08572	186.9

Literature stripe

literature stripe

Patent stripe

patents stripe