CID 72119

Bazinaprine

Structural Information

Molecular Formula

C₁₇H₁₉N₅O

SMILES

C1COCCN1CCNC2=NN=C(C=C2C#N)C3=CC=CC=C3

InChI

InChI=1S/C17H19N5O/c18-13-15-12-16(14-4-2-1-3-5-14)20-21-17(15)19-6-7-22-8-10-23-11-9-22/h1-5,12H,6-11H2,(H,19,21)

InChIKey

KRNDIPHOJLIHRI-UHFFFAOYSA-N

Compound name

3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 1100
Patents: 309.15897 Da
Monoisotopic Mass: 1.9
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]+	310.16625	181.0
[M+Na]+	332.14819	193.9
[M+NH4]+	327.19279	184.4
[M+K]+	348.12213	182.9
[M-H]-	308.15169	179.4
[M+Na-2H]-	330.13364	186.1
[M]+	309.15842	181.5
[M]-	309.15952	181.5

Literature stripe

literature stripe

Patent stripe

patents stripe