CID 74787781

1072850-89-5

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 168.0
[M+Na]+ 360.01067 177.6
[M-H]- 336.01417 178.1
[M+NH4]+ 355.05527 182.3
[M+K]+ 375.98461 164.9
[M+H-H2O]+ 320.01871 164.3
[M+HCOO]- 382.01965 189.1
[M+CH3COO]- 396.03530 180.8
[M+Na-2H]- 357.99612 176.9
[M]+ 337.02090 185.2
[M]- 337.02200 185.2
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