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

42
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 146.8
[M+Na]+ 243.04079 157.1
[M-H]- 219.04429 150.5
[M+NH4]+ 238.08539 162.6
[M+K]+ 259.01473 151.1
[M+H-H2O]+ 203.04883 138.9
[M+HCOO]- 265.04977 166.0
[M+CH3COO]- 279.06542 159.2
[M+Na-2H]- 241.02624 153.1
[M]+ 220.05102 145.4
[M]- 220.05212 145.4
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