CID 15957045

162020-23-7

Structural Information

Molecular Formula
C11H18N4O3
SMILES
CC1=CN(C(=O)N=C1NC)[C@H]2C[C@@H]([C@H](O2)CO)N
InChI
InChI=1S/C11H18N4O3/c1-6-4-15(11(17)14-10(6)13-2)9-3-7(12)8(5-16)18-9/h4,7-9,16H,3,5,12H2,1-2H3,(H,13,14,17)/t7-,8+,9+/m0/s1
InChIKey
XWRSNCLIAQBGOF-DJLDLDEBSA-N
Compound name
1-[(2R,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-(methylamino)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

254.1379 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14518 158.4
[M+Na]+ 277.12712 166.6
[M-H]- 253.13062 162.2
[M+NH4]+ 272.17172 172.3
[M+K]+ 293.10106 164.3
[M+H-H2O]+ 237.13516 150.4
[M+HCOO]- 299.13610 178.7
[M+CH3COO]- 313.15175 197.9
[M+Na-2H]- 275.11257 160.0
[M]+ 254.13735 157.3
[M]- 254.13845 157.3
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.