CID 463124

83158-06-9

Structural Information

Molecular Formula
C19H20N4O2
SMILES
COC1=C(C=CC(=C1)CC2=CN=C(N=C2N)N)OCC3=CC=CC=C3
InChI
InChI=1S/C19H20N4O2/c1-24-17-10-14(9-15-11-22-19(21)23-18(15)20)7-8-16(17)25-12-13-5-3-2-4-6-13/h2-8,10-11H,9,12H2,1H3,(H4,20,21,22,23)
InChIKey
KRZXDTYOZAQOGL-UHFFFAOYSA-N
Compound name
5-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

11
Patents

336.15863 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16591 182.1
[M+Na]+ 359.14785 196.8
[M+NH4]+ 354.19245 188.8
[M+K]+ 375.12179 189.0
[M-H]- 335.15135 188.6
[M+Na-2H]- 357.13330 192.1
[M]+ 336.15808 186.0
[M]- 336.15918 186.0
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