CID 481452

2,4-diamino-5-[n-(2-methoxydibenzofuran-3-yl-n-methyl)amino]methylfuro[2,3-d]-pyrimidine

Structural Information

Molecular Formula
C21H19N5O3
SMILES
CN(CC1=COC2=NC(=NC(=C12)N)N)C3=C(C=C4C5=CC=CC=C5OC4=C3)OC
InChI
InChI=1S/C21H19N5O3/c1-26(9-11-10-28-20-18(11)19(22)24-21(23)25-20)14-8-16-13(7-17(14)27-2)12-5-3-4-6-15(12)29-16/h3-8,10H,9H2,1-2H3,(H4,22,23,24,25)
InChIKey
NNMOBYLDYAYJKJ-UHFFFAOYSA-N
Compound name
5-[[(2-methoxydibenzofuran-3-yl)-methylamino]methyl]furo[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.1488 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.15608 191.3
[M+Na]+ 412.13802 202.9
[M-H]- 388.14152 202.4
[M+NH4]+ 407.18262 203.8
[M+K]+ 428.11196 200.3
[M+H-H2O]+ 372.14606 182.7
[M+HCOO]- 434.14700 214.7
[M+CH3COO]- 448.16265 203.1
[M+Na-2H]- 410.12347 196.2
[M]+ 389.14825 199.8
[M]- 389.14935 199.8
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.