CID 135409256

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Structural Information

Molecular Formula
C11H13N5O3
SMILES
C1/C(=C/N2C=NC3=C2N=C(NC3=O)N)/C1(CO)CO
InChI
InChI=1S/C11H13N5O3/c12-10-14-8-7(9(19)15-10)13-5-16(8)2-6-1-11(6,3-17)4-18/h2,5,17-18H,1,3-4H2,(H3,12,14,15,19)/b6-2-
InChIKey
KMUNHOKTIVSFRA-KXFIGUGUSA-N
Compound name
2-amino-9-[(Z)-[2,2-bis(hydroxymethyl)cyclopropylidene]methyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

30
References

235
Patents

263.10184 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.10912 166.6
[M+Na]+ 286.09106 180.0
[M-H]- 262.09456 167.0
[M+NH4]+ 281.13566 176.1
[M+K]+ 302.06500 171.6
[M+H-H2O]+ 246.09910 159.9
[M+HCOO]- 308.10004 184.1
[M+CH3COO]- 322.11569 176.7
[M+Na-2H]- 284.07651 171.0
[M]+ 263.10129 169.0
[M]- 263.10239 169.0
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