CID 385212

Nsc676325

Structural Information

Molecular Formula
C11H19ClN4O
SMILES
CCC(CC)(CNC1=CC(=NC(=N1)N)Cl)CO
InChI
InChI=1S/C11H19ClN4O/c1-3-11(4-2,7-17)6-14-9-5-8(12)15-10(13)16-9/h5,17H,3-4,6-7H2,1-2H3,(H3,13,14,15,16)
InChIKey
YIAWJZURLDKQHU-UHFFFAOYSA-N
Compound name
2-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.12473 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.13201 161.0
[M+Na]+ 281.11395 168.3
[M-H]- 257.11745 160.0
[M+NH4]+ 276.15855 175.0
[M+K]+ 297.08789 163.3
[M+H-H2O]+ 241.12199 154.0
[M+HCOO]- 303.12293 176.1
[M+CH3COO]- 317.13858 198.0
[M+Na-2H]- 279.09940 166.0
[M]+ 258.12418 161.7
[M]- 258.12528 161.7
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

No patent data available for this compound.