CID 453472

3'-nh2-d-seco-t

Structural Information

Molecular Formula
C10H17N3O4
SMILES
CC1=CN(C(=O)NC1=O)C(C)OC(CN)CO
InChI
InChI=1S/C10H17N3O4/c1-6-4-13(10(16)12-9(6)15)7(2)17-8(3-11)5-14/h4,7-8,14H,3,5,11H2,1-2H3,(H,12,15,16)
InChIKey
FRAYPLVXQUXUAB-UHFFFAOYSA-N
Compound name
1-[1-(1-amino-3-hydroxypropan-2-yl)oxyethyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.1219 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.12918 153.3
[M+Na]+ 266.11112 161.0
[M-H]- 242.11462 151.7
[M+NH4]+ 261.15572 166.5
[M+K]+ 282.08506 158.4
[M+H-H2O]+ 226.11916 145.9
[M+HCOO]- 288.12010 171.5
[M+CH3COO]- 302.13575 191.5
[M+Na-2H]- 264.09657 154.7
[M]+ 243.12135 153.3
[M]- 243.12245 153.3
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.