CID 62899433

5-(2-bromophenyl)-2-cyclopropylpyrimidin-4-amine

Structural Information

Molecular Formula
C13H12BrN3
SMILES
C1CC1C2=NC=C(C(=N2)N)C3=CC=CC=C3Br
InChI
InChI=1S/C13H12BrN3/c14-11-4-2-1-3-9(11)10-7-16-13(8-5-6-8)17-12(10)15/h1-4,7-8H,5-6H2,(H2,15,16,17)
InChIKey
KMANOSWIFBSNJZ-UHFFFAOYSA-N
Compound name
5-(2-bromophenyl)-2-cyclopropylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.02145 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.028726 159.1
[M+Na]+ 312.010668 172.6
[M-H]- 288.014174 169.0
[M+NH4]+ 307.055273 171.3
[M+K]+ 327.984608 159.1
[M+H-H2O]+ 272.018710 156.6
[M+HCOO]- 334.019651 180.1
[M+CH3COO]- 348.035301 172.6
[M+Na-2H]- 309.996116 166.0
[M]+ 289.02090142 177.2
[M]- 289.02199858 177.2
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

No patent data available for this compound.