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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.16043 156.7
[M+Na]+ 265.14237 165.2
[M-H]- 241.14587 161.7
[M+NH4]+ 260.18697 172.3
[M+K]+ 281.11631 161.1
[M+H-H2O]+ 225.15041 146.4
[M+HCOO]- 287.15135 175.8
[M+CH3COO]- 301.16700 168.3
[M+Na-2H]- 263.12782 156.9
[M]+ 242.15260 155.3
[M]- 242.15370 155.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe