CID 74787781

5-bromo-n-(diphenylmethylene)-2-pyrimidinamine

Structural Information

Molecular Formula
C17H12BrN3
SMILES
C1=CC=C(C=C1)C(=NC2=NC=C(C=N2)Br)C3=CC=CC=C3
InChI
InChI=1S/C17H12BrN3/c18-15-11-19-17(20-12-15)21-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
InChIKey
VBHNKNHKVCIKBQ-UHFFFAOYSA-N
Compound name
N-(5-bromopyrimidin-2-yl)-1,1-diphenylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

337.02145 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.02873 166.4
[M+Na]+ 360.01067 173.3
[M+NH4]+ 355.05527 171.6
[M+K]+ 375.98461 170.5
[M-H]- 336.01417 171.5
[M+Na-2H]- 357.99612 175.8
[M]+ 337.02090 167.9
[M]- 337.02200 167.9
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