CID 451523

N-bz-2'-f-dd-ara-a

Structural Information

Molecular Formula
C17H16FN5O3
SMILES
C1[C@H](O[C@H]([C@H]1F)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)CO
InChI
InChI=1S/C17H16FN5O3/c18-12-6-11(7-24)26-17(12)23-9-21-13-14(19-8-20-15(13)23)22-16(25)10-4-2-1-3-5-10/h1-5,8-9,11-12,17,24H,6-7H2,(H,19,20,22,25)/t11-,12-,17+/m0/s1
InChIKey
MEJGKVAHHHDBIU-NVGCLXPQSA-N
Compound name
N-[9-[(2R,3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

357.12372 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.13100 178.8
[M+Na]+ 380.11294 187.4
[M-H]- 356.11644 183.7
[M+NH4]+ 375.15754 188.1
[M+K]+ 396.08688 183.0
[M+H-H2O]+ 340.12098 167.9
[M+HCOO]- 402.12192 195.3
[M+CH3COO]- 416.13757 188.4
[M+Na-2H]- 378.09839 179.8
[M]+ 357.12317 179.1
[M]- 357.12427 179.1
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.