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

1
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

literature stripe

Patent stripe

patents stripe