CID 21256787

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

Structural Information

Molecular Formula
C10H9ClN4
SMILES
C1=CC=C(C(=C1)C2=CN=C(N=C2N)N)Cl
InChI
InChI=1S/C10H9ClN4/c11-8-4-2-1-3-6(8)7-5-14-10(13)15-9(7)12/h1-5H,(H4,12,13,14,15)
InChIKey
BVWVBAFKSRBVDR-UHFFFAOYSA-N
Compound name
5-(2-chlorophenyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
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

No literature data available for this compound.

Patent stripe

patents stripe