CID 11617559

870483-87-7

Structural Information

Molecular Formula
C20H22N4O3
SMILES
COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC
InChI
InChI=1S/C20H22N4O3/c1-25-16-6-3-13(4-7-16)12-27-17-8-5-14(10-18(17)26-2)9-15-11-23-20(22)24-19(15)21/h3-8,10-11H,9,12H2,1-2H3,(H4,21,22,23,24)
InChIKey
MYQAUKPBNJWPIE-UHFFFAOYSA-N
Compound name
5-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

63
References

389
Patents

366.1692 Da
Monoisotopic Mass

2.6
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

literature stripe

Patent stripe

patents stripe