CID 6410651

Cm 30486

Structural Information

Molecular Formula

C₁₄H₁₈N₄

SMILES

CC1=CC(=NN=C1NCCCN)C2=CC=CC=C2

InChI

InChI=1S/C14H18N4/c1-11-10-13(12-6-3-2-4-7-12)17-18-14(11)16-9-5-8-15/h2-4,6-7,10H,5,8-9,15H2,1H3,(H,16,18)

InChIKey

VIUDAFUCYIXLKN-UHFFFAOYSA-N

Compound name

N'-(4-methyl-6-phenylpyridazin-3-yl)propane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 242.15315 Da
Monoisotopic Mass: 2.3
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]+	243.16043	157.2
[M+Na]+	265.14237	170.6
[M+NH4]+	260.18697	165.0
[M+K]+	281.11631	162.8
[M-H]-	241.14587	162.0
[M+Na-2H]-	263.12782	166.5
[M]+	242.15260	160.4
[M]-	242.15370	160.4

Literature stripe

literature stripe

Patent stripe

patents stripe