CID 481449

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

Structural Information

Molecular Formula
C20H17N5O2
SMILES
C1=CC=C2C3=C(C=C(C=C3)NCC4=COC5=NC(=NC(=C45)N)N)[C@@H](C2=C1)O
InChI
InChI=1S/C20H17N5O2/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/h1-7,9,17,23,26H,8H2,(H4,21,22,24,25)/t17-/m1/s1
InChIKey
AVCHGHBDBVGAHD-QGZVFWFLSA-N
Compound name
(9R)-2-[(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)methylamino]-9H-fluoren-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.1382 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.14548 178.6
[M+Na]+ 382.12742 189.5
[M-H]- 358.13092 186.4
[M+NH4]+ 377.17202 192.6
[M+K]+ 398.10136 183.6
[M+H-H2O]+ 342.13546 170.7
[M+HCOO]- 404.13640 200.3
[M+CH3COO]- 418.15205 189.8
[M+Na-2H]- 380.11287 183.9
[M]+ 359.13765 181.0
[M]- 359.13875 181.0
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.