CID 504036

5-(3-bromo-4-chloro-phenyl)-6-methyl-pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C11H10BrClN4
SMILES
CC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)Br
InChI
InChI=1S/C11H10BrClN4/c1-5-9(10(14)17-11(15)16-5)6-2-3-8(13)7(12)4-6/h2-4H,1H3,(H4,14,15,16,17)
InChIKey
TYOLKJGTHUBMJG-UHFFFAOYSA-N
Compound name
5-(3-bromo-4-chlorophenyl)-6-methylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.97775 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.98503 158.7
[M+Na]+ 334.96697 172.8
[M-H]- 310.97047 165.3
[M+NH4]+ 330.01157 175.1
[M+K]+ 350.94091 157.8
[M+H-H2O]+ 294.97501 156.7
[M+HCOO]- 356.97595 175.1
[M+CH3COO]- 370.99160 172.4
[M+Na-2H]- 332.95242 164.0
[M]+ 311.97720 176.9
[M]- 311.97830 176.9
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

No patent data available for this compound.