CID 3011536

5-phenethyloxypyrimidine-2,4-diamine

Structural Information

Molecular Formula
C12H14N4O
SMILES
C1=CC=C(C=C1)CCOC2=CN=C(N=C2N)N
InChI
InChI=1S/C12H14N4O/c13-11-10(8-15-12(14)16-11)17-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H4,13,14,15,16)
InChIKey
PRGANFGBNHBGNR-UHFFFAOYSA-N
Compound name
5-(2-phenylethoxy)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.11676 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.124036 151.2
[M+Na]+ 253.105978 158.9
[M-H]- 229.109484 154.5
[M+NH4]+ 248.150583 165.3
[M+K]+ 269.079918 154.6
[M+H-H2O]+ 213.114020 141.9
[M+HCOO]- 275.114961 174.6
[M+CH3COO]- 289.130611 194.4
[M+Na-2H]- 251.091426 157.9
[M]+ 230.11621142 149.4
[M]- 230.11730858 149.4
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.