CID 1069540

2-amino-6-(3-bromophenyl)-4-phenylpyridine-3-carbonitrile

Structural Information

Molecular Formula
C18H12BrN3
SMILES
C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC(=CC=C3)Br
InChI
InChI=1S/C18H12BrN3/c19-14-8-4-7-13(9-14)17-10-15(12-5-2-1-3-6-12)16(11-20)18(21)22-17/h1-10H,(H2,21,22)
InChIKey
LTUFQXNNTKDUFV-UHFFFAOYSA-N
Compound name
2-amino-6-(3-bromophenyl)-4-phenylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.02145 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.02873 176.7
[M+Na]+ 372.01067 190.0
[M-H]- 348.01417 183.4
[M+NH4]+ 367.05527 189.6
[M+K]+ 387.98461 174.4
[M+H-H2O]+ 332.01871 166.9
[M+HCOO]- 394.01965 195.5
[M+CH3COO]- 408.03530 187.4
[M+Na-2H]- 369.99612 180.9
[M]+ 349.02090 186.3
[M]- 349.02200 186.3
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

No patent data available for this compound.