CID 611982

Pyrimidine, 4-amino-6-methyl-2-(phenoxymethyl)-, hydrochloride

Structural Information

Molecular Formula
C12H13N3O
SMILES
CC1=CC(=NC(=N1)COC2=CC=CC=C2)N
InChI
InChI=1S/C12H13N3O/c1-9-7-11(13)15-12(14-9)8-16-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,13,14,15)
InChIKey
PPHDYGFHFWMZSQ-UHFFFAOYSA-N
Compound name
6-methyl-2-(phenoxymethyl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.10587 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.11315 147.7
[M+Na]+ 238.09509 162.3
[M+NH4]+ 233.13969 155.8
[M+K]+ 254.06903 155.1
[M-H]- 214.09859 151.8
[M+Na-2H]- 236.08054 157.3
[M]+ 215.10532 150.9
[M]- 215.10642 150.9
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.