CID 204821

5-(4-chlorophenyl)pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C10H9ClN4
SMILES
C1=CC(=CC=C1C2=CN=C(N=C2N)N)Cl
InChI
InChI=1S/C10H9ClN4/c11-7-3-1-6(2-4-7)8-5-14-10(13)15-9(8)12/h1-5H,(H4,12,13,14,15)
InChIKey
OBYDYFKZLKCNOC-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

220.05157 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.05885 145.5
[M+Na]+ 243.04079 160.6
[M+NH4]+ 238.08539 154.0
[M+K]+ 259.01473 153.2
[M-H]- 219.04429 150.3
[M+Na-2H]- 241.02624 155.1
[M]+ 220.05102 149.3
[M]- 220.05212 149.3
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

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