CID 134531

5-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine

Structural Information

Molecular Formula
C11H11ClN4
SMILES
CC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H11ClN4/c1-6-9(10(13)16-11(14)15-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H4,13,14,15,16)
InChIKey
SNBBQZGVKQEBQT-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3
Patents

234.06723 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.07451 152.1
[M+Na]+ 257.05645 163.0
[M-H]- 233.05995 156.1
[M+NH4]+ 252.10105 167.7
[M+K]+ 273.03039 156.7
[M+H-H2O]+ 217.06449 144.3
[M+HCOO]- 279.06543 171.0
[M+CH3COO]- 293.08108 164.5
[M+Na-2H]- 255.04190 157.1
[M]+ 234.06668 151.5
[M]- 234.06778 151.5
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

patents stripe