CID 44423945

Chembl389063

Structural Information

Molecular Formula
C15H19ClN4O
SMILES
C1=CC(=CC=C1C2=C(N=C(N=C2N)N)CCCCCO)Cl
InChI
InChI=1S/C15H19ClN4O/c16-11-7-5-10(6-8-11)13-12(4-2-1-3-9-21)19-15(18)20-14(13)17/h5-8,21H,1-4,9H2,(H4,17,18,19,20)
InChIKey
IOPVEAMRHPYXAV-UHFFFAOYSA-N
Compound name
5-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.12473 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.13201 172.5
[M+Na]+ 329.11395 180.9
[M-H]- 305.11745 174.4
[M+NH4]+ 324.15855 184.3
[M+K]+ 345.08789 173.7
[M+H-H2O]+ 289.12199 164.0
[M+HCOO]- 351.12293 188.8
[M+CH3COO]- 365.13858 207.2
[M+Na-2H]- 327.09940 175.0
[M]+ 306.12418 172.8
[M]- 306.12528 172.8
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

No patent data available for this compound.