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 147.6
[M+Na]+ 238.09509 156.2
[M-H]- 214.09859 151.5
[M+NH4]+ 233.13969 163.1
[M+K]+ 254.06903 152.3
[M+H-H2O]+ 198.10313 138.7
[M+HCOO]- 260.10407 170.7
[M+CH3COO]- 274.11972 189.9
[M+Na-2H]- 236.08054 154.9
[M]+ 215.10532 147.5
[M]- 215.10642 147.5
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.