CID 494840

Nsc633771

Structural Information

Molecular Formula
C16H18N6O3
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)CC3=CC=CC=C3)CO)N=[N+]=[N-]
InChI
InChI=1S/C16H18N6O3/c17-15-11(6-10-4-2-1-3-5-10)8-22(16(24)19-15)14-7-12(20-21-18)13(9-23)25-14/h1-5,8,12-14,23H,6-7,9H2,(H2,17,19,24)/t12-,13+,14+/m0/s1
InChIKey
WCWFWYWAPOTZDX-BFHYXJOUSA-N
Compound name
4-amino-1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-benzylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.14404 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15132 178.2
[M+Na]+ 365.13326 184.0
[M-H]- 341.13676 187.3
[M+NH4]+ 360.17786 187.8
[M+K]+ 381.10720 175.4
[M+H-H2O]+ 325.14130 171.7
[M+HCOO]- 387.14224 203.6
[M+CH3COO]- 401.15789 213.3
[M+Na-2H]- 363.11871 184.4
[M]+ 342.14349 174.5
[M]- 342.14459 174.5
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.