CID 463109

85544-41-8

Structural Information

Molecular Formula
C14H18N4O2
SMILES
CCOC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OC
InChI
InChI=1S/C14H18N4O2/c1-3-20-11-5-4-9(7-12(11)19-2)6-10-8-17-14(16)18-13(10)15/h4-5,7-8H,3,6H2,1-2H3,(H4,15,16,17,18)
InChIKey
DRVXIPMHENHGQH-UHFFFAOYSA-N
Compound name
5-[(4-ethoxy-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

274.14297 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.15025 164.3
[M+Na]+ 297.13219 177.1
[M+NH4]+ 292.17679 170.7
[M+K]+ 313.10613 171.0
[M-H]- 273.13569 168.0
[M+Na-2H]- 295.11764 171.5
[M]+ 274.14242 167.0
[M]- 274.14352 167.0
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

patents stripe