CID 21453

Diaveridine

Structural Information

Molecular Formula
C13H16N4O2
SMILES
COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OC
InChI
InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)
InChIKey
LDBTVAXGKYIFHO-UHFFFAOYSA-N
Compound name
5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

60
References

2086
Patents

260.12732 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13460 159.8
[M+Na]+ 283.11654 172.8
[M+NH4]+ 278.16114 166.3
[M+K]+ 299.09048 166.9
[M-H]- 259.12004 163.5
[M+Na-2H]- 281.10199 167.3
[M]+ 260.12677 162.5
[M]- 260.12787 162.5
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