CID 481450

2-[(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)methylamino]fluoren-9-one

Structural Information

Molecular Formula
C20H15N5O2
SMILES
C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)NCC4=COC5=NC(=NC(=C45)N)N
InChI
InChI=1S/C20H15N5O2/c21-18-16-10(9-27-19(16)25-20(22)24-18)8-23-11-5-6-13-12-3-1-2-4-14(12)17(26)15(13)7-11/h1-7,9,23H,8H2,(H4,21,22,24,25)
InChIKey
GQSYPUWAFIHYSL-UHFFFAOYSA-N
Compound name
2-[(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)methylamino]fluoren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1226 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.12988 179.2
[M+Na]+ 380.11182 190.8
[M-H]- 356.11532 188.2
[M+NH4]+ 375.15642 193.8
[M+K]+ 396.08576 185.0
[M+H-H2O]+ 340.11986 171.0
[M+HCOO]- 402.12080 202.4
[M+CH3COO]- 416.13645 191.0
[M+Na-2H]- 378.09727 184.6
[M]+ 357.12205 182.5
[M]- 357.12315 182.5
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.