CID 416151

2-{1-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-2-methyl-1,2-dihydro-3-pyridinyl}ethanol

Structural Information

Molecular Formula
C14H20N4O
SMILES
CC1C(=CC=CN1CC2=CN=C(N=C2N)C)CCO
InChI
InChI=1S/C14H20N4O/c1-10-12(5-7-19)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15/h3-4,6,8,10,19H,5,7,9H2,1-2H3,(H2,15,16,17)
InChIKey
UZLPMHGCXVJFGY-UHFFFAOYSA-N
Compound name
2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-methyl-2H-pyridin-3-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

260.1637 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.17098 164.6
[M+Na]+ 283.15292 172.8
[M-H]- 259.15642 165.8
[M+NH4]+ 278.19752 176.7
[M+K]+ 299.12686 167.5
[M+H-H2O]+ 243.16096 155.2
[M+HCOO]- 305.16190 182.6
[M+CH3COO]- 319.17755 199.0
[M+Na-2H]- 281.13837 167.7
[M]+ 260.16315 163.3
[M]- 260.16425 163.3
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.