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

literature stripe

Patent stripe

patents stripe