CID 6411990

6-methyl-3,4-diphenylpyridazine

Structural Information

Molecular Formula
C17H14N2
SMILES
CC1=CC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H14N2/c1-13-12-16(14-8-4-2-5-9-14)17(19-18-13)15-10-6-3-7-11-15/h2-12H,1H3
InChIKey
RRQBBOGLPGLHMY-UHFFFAOYSA-N
Compound name
6-methyl-3,4-diphenylpyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

246.11569 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.122966 156.9
[M+Na]+ 269.104908 165.5
[M-H]- 245.108414 164.0
[M+NH4]+ 264.149513 171.0
[M+K]+ 285.078848 159.5
[M+H-H2O]+ 229.112950 146.7
[M+HCOO]- 291.113891 178.8
[M+CH3COO]- 305.129541 169.0
[M+Na-2H]- 267.090356 164.5
[M]+ 246.11514142 156.0
[M]- 246.11623858 156.0
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