CID 479089

27810-94-2

Structural Information

Molecular Formula
C20H22N4O3
SMILES
COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)OCC3=CC=CC=C3)OC
InChI
InChI=1S/C20H22N4O3/c1-25-16-9-14(8-15-11-23-20(22)24-19(15)21)10-17(18(16)26-2)27-12-13-6-4-3-5-7-13/h3-7,9-11H,8,12H2,1-2H3,(H4,21,22,23,24)
InChIKey
KGFRBZVECBIIHN-UHFFFAOYSA-N
Compound name
5-[(3,4-dimethoxy-5-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

366.1692 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.17648 189.3
[M+Na]+ 389.15842 196.9
[M-H]- 365.16192 196.0
[M+NH4]+ 384.20302 197.8
[M+K]+ 405.13236 191.8
[M+H-H2O]+ 349.16646 177.7
[M+HCOO]- 411.16740 211.4
[M+CH3COO]- 425.18305 222.5
[M+Na-2H]- 387.14387 192.2
[M]+ 366.16865 191.5
[M]- 366.16975 191.5
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.