CID 64986

Azddmec

Structural Information

Molecular Formula
C10H14N6O3
SMILES
CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C10H14N6O3/c1-5-3-16(10(18)13-9(5)11)8-2-6(14-15-12)7(4-17)19-8/h3,6-8,17H,2,4H2,1H3,(H2,11,13,18)/t6-,7+,8+/m0/s1
InChIKey
GZSDAHQGNUAEBC-XLPZGREQSA-N
Compound name
4-amino-1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

151
Patents

266.11273 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12001 157.0
[M+Na]+ 289.10195 167.5
[M+NH4]+ 284.14655 162.5
[M+K]+ 305.07589 167.4
[M-H]- 265.10545 162.5
[M+Na-2H]- 287.08740 161.1
[M]+ 266.11218 159.4
[M]- 266.11328 159.4
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