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]+ 231.12404 151.2
[M+Na]+ 253.10598 158.9
[M-H]- 229.10948 154.5
[M+NH4]+ 248.15058 165.3
[M+K]+ 269.07992 154.6
[M+H-H2O]+ 213.11402 141.9
[M+HCOO]- 275.11496 174.6
[M+CH3COO]- 289.13061 194.4
[M+Na-2H]- 251.09143 157.9
[M]+ 230.11621 149.4
[M]- 230.11731 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.