CID 84962

15518-68-0

Structural Information

Molecular Formula

C₁₇H₁₈N₃O₃

SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCC)[N+]#N

InChI

InChI=1S/C17H17N3O3/c1-3-22-15-11-14(20-18)16(23-4-2)10-13(15)19-17(21)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3/p+1

InChIKey

DKPBKNZQVUOHRQ-UHFFFAOYSA-O

Compound name

4-benzamido-2,5-diethoxybenzenediazonium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 20
References: 634
Patents: 312.13483 Da
Monoisotopic Mass: 4.1
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]+	313.14211	178.7
[M+Na]+	335.12405	186.9
[M-H]-	311.12755	185.2
[M+NH4]+	330.16865	191.1
[M+K]+	351.09799	178.3
[M+H-H2O]+	295.13209	165.7
[M+HCOO]-	357.13303	200.5
[M+CH3COO]-	371.14868	216.2
[M+Na-2H]-	333.10950	183.7
[M]+	312.13428	175.9
[M]-	312.13538	175.9

Literature stripe

literature stripe

Patent stripe

patents stripe