CID 134622

Pyrimidine, 2,4-diamino-5-(p-chlorophenyl)-6-pentyl-

Structural Information

Molecular Formula
C15H19ClN4
SMILES
CCCCCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H19ClN4/c1-2-3-4-5-12-13(14(17)20-15(18)19-12)10-6-8-11(16)9-7-10/h6-9H,2-5H2,1H3,(H4,17,18,19,20)
InChIKey
CCCYRKZITAFOSX-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-6-pentylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

290.12982 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13710 170.0
[M+Na]+ 313.11904 179.0
[M-H]- 289.12254 173.2
[M+NH4]+ 308.16364 183.2
[M+K]+ 329.09298 171.9
[M+H-H2O]+ 273.12708 161.3
[M+HCOO]- 335.12802 187.4
[M+CH3COO]- 349.14367 207.3
[M+Na-2H]- 311.10449 172.8
[M]+ 290.12927 170.7
[M]- 290.13037 170.7
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