CID 451458

108895-46-1

Structural Information

Molecular Formula
C11H16N6O3
SMILES
CC1=CN(C(=O)N=C1NC)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C11H16N6O3/c1-6-4-17(11(19)14-10(6)13-2)9-3-7(15-16-12)8(5-18)20-9/h4,7-9,18H,3,5H2,1-2H3,(H,13,14,19)/t7-,8+,9+/m0/s1
InChIKey
CULIUQSQFSCPGF-DJLDLDEBSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-(methylamino)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

280.1284 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13568 161.9
[M+Na]+ 303.11762 169.0
[M-H]- 279.12112 168.8
[M+NH4]+ 298.16222 175.0
[M+K]+ 319.09156 162.4
[M+H-H2O]+ 263.12566 157.2
[M+HCOO]- 325.12660 188.4
[M+CH3COO]- 339.14225 202.8
[M+Na-2H]- 301.10307 169.4
[M]+ 280.12785 159.9
[M]- 280.12895 159.9
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.