CID 58898715

Bromo[(2,6-pyridinediyl)bis(3-methyl-1-imidazolyl-2-ylidene)]nickel bromide

Structural Information

Molecular Formula

C₁₄H₁₈N₄

SMILES

CN1CN(C=C1)C2=CC(=CC=C2)N3CN(C=C3)C

InChI

InChI=1S/C14H18N4/c1-15-6-8-17(11-15)13-4-3-5-14(10-13)18-9-7-16(2)12-18/h3-10H,11-12H2,1-2H3

InChIKey

KFLYDPKNBBDWOZ-UHFFFAOYSA-N

Compound name

1-methyl-3-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-2H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 242.15315 Da
Monoisotopic Mass: 2.4
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]+	243.160426	156.7
[M+Na]+	265.142368	165.2
[M-H]-	241.145874	161.7
[M+NH4]+	260.186973	172.3
[M+K]+	281.116308	161.1
[M+H-H2O]+	225.150410	146.4
[M+HCOO]-	287.151351	175.8
[M+CH3COO]-	301.167001	168.3
[M+Na-2H]-	263.127816	156.9
[M]+	242.15260142	155.3
[M]-	242.15369858	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe