CID 11402489

Procainamide n-oxide dihydrochloride

Structural Information

Molecular Formula

C₁₃H₂₁N₃O₂

SMILES

CC[N+](CC)(CCNC(=O)C1=CC=C(C=C1)N)[O-]

InChI

InChI=1S/C13H21N3O2/c1-3-16(18,4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)

InChIKey

XZUBTFJLMSLSFU-UHFFFAOYSA-N

Compound name

2-[(4-aminobenzoyl)amino]-N,N-diethylethanamine oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 251.16338 Da
Monoisotopic Mass: 0.7
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]+	252.170656	155.8
[M+Na]+	274.152598	159.9
[M-H]-	250.156104	158.5
[M+NH4]+	269.197203	171.7
[M+K]+	290.126538	153.0
[M+H-H2O]+	234.160640	153.8
[M+HCOO]-	296.161581	179.9
[M+CH3COO]-	310.177231	194.3
[M+Na-2H]-	272.138046	162.9
[M]+	251.16283142	152.9
[M]-	251.16392858	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe