CID 134626

5-(4-bromophenyl)-6-ethylpyrimidine-2,4-diamine

Structural Information

Molecular Formula
C12H13BrN4
SMILES
CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Br
InChI
InChI=1S/C12H13BrN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
InChIKey
QBWDUOPHQODKEA-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-6-ethylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

292.03235 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.03963 157.4
[M+Na]+ 315.02157 169.4
[M-H]- 291.02507 163.8
[M+NH4]+ 310.06617 173.5
[M+K]+ 330.99551 155.9
[M+H-H2O]+ 275.02961 154.5
[M+HCOO]- 337.03055 178.0
[M+CH3COO]- 351.04620 203.7
[M+Na-2H]- 313.00702 163.4
[M]+ 292.03180 173.7
[M]- 292.03290 173.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.