CID 134812633

Fanotaprim

Structural Information

Molecular Formula
C19H22N8O
SMILES
COC1=NC=C(C=N1)C2=CC(=CC=C2)N3CCN(CC3)C4=CN=C(N=C4N)N
InChI
InChI=1S/C19H22N8O/c1-28-19-23-10-14(11-24-19)13-3-2-4-15(9-13)26-5-7-27(8-6-26)16-12-22-18(21)25-17(16)20/h2-4,9-12H,5-8H2,1H3,(H4,20,21,22,25)
InChIKey
GUZBZPCNAJDYMO-UHFFFAOYSA-N
Compound name
5-[4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

11
Patents

378.19165 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.19893 195.7
[M+Na]+ 401.18087 202.6
[M-H]- 377.18437 199.6
[M+NH4]+ 396.22547 197.5
[M+K]+ 417.15481 194.1
[M+H-H2O]+ 361.18891 181.3
[M+HCOO]- 423.18985 209.0
[M+CH3COO]- 437.20550 201.9
[M+Na-2H]- 399.16632 199.0
[M]+ 378.19110 190.1
[M]- 378.19220 190.1
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