CID 4913

Procainamide

Structural Information

Molecular Formula

C₁₃H₂₁N₃O

SMILES

CCN(CC)CCNC(=O)C1=CC=C(C=C1)N

InChI

InChI=1S/C13H21N3O/c1-3-16(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

REQCZEXYDRLIBE-UHFFFAOYSA-N

Compound name

4-amino-N-[2-(diethylamino)ethyl]benzamide

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 4019
References: 35244
Patents: 235.16846 Da
Monoisotopic Mass: 0.9
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]+	236.175736	157.3
[M+Na]+	258.157678	161.5
[M-H]-	234.161184	161.3
[M+NH4]+	253.202283	174.6
[M+K]+	274.131618	160.1
[M+H-H2O]+	218.165720	149.6
[M+HCOO]-	280.166661	182.8
[M+CH3COO]-	294.182311	203.6
[M+Na-2H]-	256.143126	160.3
[M]+	235.16791142	157.0
[M]-	235.16900858	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe