CID 3001868

Ptspcgjnqxzztb-ypvskdhrsa-n

Structural Information

Molecular Formula
C10H15N3O4
SMILES
C1C([C@@H]([C@H](O1)CO)CO)N2C=CC(=NC2=O)N
InChI
InChI=1S/C10H15N3O4/c11-9-1-2-13(10(16)12-9)7-5-17-8(4-15)6(7)3-14/h1-2,6-8,14-15H,3-5H2,(H2,11,12,16)/t6-,7?,8+/m0/s1
InChIKey
PTSPCGJNQXZZTB-YPVSKDHRSA-N
Compound name
4-amino-1-[(4R,5S)-4,5-bis(hydroxymethyl)oxolan-3-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

241.10626 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.113536 152.2
[M+Na]+ 264.095478 160.3
[M-H]- 240.098984 154.5
[M+NH4]+ 259.140083 165.9
[M+K]+ 280.069418 158.0
[M+H-H2O]+ 224.103520 144.6
[M+HCOO]- 286.104461 170.6
[M+CH3COO]- 300.120111 188.2
[M+Na-2H]- 262.080926 154.2
[M]+ 241.10571142 150.7
[M]- 241.10680858 150.7
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