CID 463110

80267-17-0

Structural Information

Molecular Formula
C15H20N4O2
SMILES
CCCOC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OC
InChI
InChI=1S/C15H20N4O2/c1-3-6-21-12-5-4-10(8-13(12)20-2)7-11-9-18-15(17)19-14(11)16/h4-5,8-9H,3,6-7H2,1-2H3,(H4,16,17,18,19)
InChIKey
AZWQGJUKPVBEDH-UHFFFAOYSA-N
Compound name
5-[(3-methoxy-4-propoxyphenyl)methyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

288.15863 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.16591 169.1
[M+Na]+ 311.14785 177.1
[M-H]- 287.15135 172.8
[M+NH4]+ 306.19245 181.4
[M+K]+ 327.12179 172.9
[M+H-H2O]+ 271.15589 159.4
[M+HCOO]- 333.15683 191.7
[M+CH3COO]- 347.17248 208.1
[M+Na-2H]- 309.13330 172.6
[M]+ 288.15808 170.6
[M]- 288.15918 170.6
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.