CID 469789

(+-)-cis-1-(4-azido-4-hydroxymethyl-3h,5h-tetrahydrofuran-2-yl)cytosine

Structural Information

Molecular Formula
C9H12N6O3
SMILES
C1C(OC[C@]1(CO)N=[N+]=[N-])N2C=CC(=NC2=O)N
InChI
InChI=1S/C9H12N6O3/c10-6-1-2-15(8(17)12-6)7-3-9(4-16,5-18-7)13-14-11/h1-2,7,16H,3-5H2,(H2,10,12,17)/t7?,9-/m0/s1
InChIKey
YAFNRJFHUOOWSU-NETXQHHPSA-N
Compound name
4-amino-1-[(4S)-4-azido-4-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

252.09709 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10437 148.4
[M+Na]+ 275.08631 155.5
[M-H]- 251.08981 154.7
[M+NH4]+ 270.13091 163.9
[M+K]+ 291.06025 149.6
[M+H-H2O]+ 235.09435 144.5
[M+HCOO]- 297.09529 175.2
[M+CH3COO]- 311.11094 193.1
[M+Na-2H]- 273.07176 158.9
[M]+ 252.09654 144.5
[M]- 252.09764 144.5
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

No patent data available for this compound.