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

literature stripe

Patent stripe

patents stripe