CID 12752253

78025-68-0

Structural Information

Molecular Formula
C15H20N4O3
SMILES
CCOC1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC
InChI
InChI=1S/C15H20N4O3/c1-4-22-13-11(20-2)6-9(7-12(13)21-3)5-10-8-18-15(17)19-14(10)16/h6-8H,4-5H2,1-3H3,(H4,16,17,18,19)
InChIKey
XWUQANDETYXOIU-UHFFFAOYSA-N
Compound name
5-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

304.15353 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.16081 172.3
[M+Na]+ 327.14275 184.8
[M+NH4]+ 322.18735 177.9
[M+K]+ 343.11669 179.2
[M-H]- 303.14625 175.6
[M+Na-2H]- 325.12820 178.6
[M]+ 304.15298 174.8
[M]- 304.15408 174.8
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