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]+ 290.02873 159.1
[M+Na]+ 312.01067 172.6
[M-H]- 288.01417 169.0
[M+NH4]+ 307.05527 171.3
[M+K]+ 327.98461 159.1
[M+H-H2O]+ 272.01871 156.6
[M+HCOO]- 334.01965 180.1
[M+CH3COO]- 348.03530 172.6
[M+Na-2H]- 309.99612 166.0
[M]+ 289.02090 177.2
[M]- 289.02200 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.