CID 481447

5-[[(2-methoxydibenzofuran-3-yl)amino]methyl]furo[2,3-d]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C20H17N5O3
SMILES
COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NCC4=COC5=NC(=NC(=C45)N)N
InChI
InChI=1S/C20H17N5O3/c1-26-16-6-12-11-4-2-3-5-14(11)28-15(12)7-13(16)23-8-10-9-27-19-17(10)18(21)24-20(22)25-19/h2-7,9,23H,8H2,1H3,(H4,21,22,24,25)
InChIKey
ZSURUBCXBUBDDJ-UHFFFAOYSA-N
Compound name
5-[[(2-methoxydibenzofuran-3-yl)amino]methyl]furo[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.13315 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.14043 184.4
[M+Na]+ 398.12237 196.6
[M-H]- 374.12587 194.5
[M+NH4]+ 393.16697 197.1
[M+K]+ 414.09631 192.9
[M+H-H2O]+ 358.13041 176.2
[M+HCOO]- 420.13135 207.9
[M+CH3COO]- 434.14700 196.4
[M+Na-2H]- 396.10782 190.8
[M]+ 375.13260 191.7
[M]- 375.13370 191.7
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.