CID 3010808

2(1h)-pyrimidinone, 4-amino-1-[(1r,2s,3r,4r)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methyl-

Structural Information

Molecular Formula
C11H17N3O4
SMILES
CC1=CN(C(=O)N=C1N)[C@@H]2C[C@@H]([C@H]([C@H]2O)O)CO
InChI
InChI=1S/C11H17N3O4/c1-5-3-14(11(18)13-10(5)12)7-2-6(4-15)8(16)9(7)17/h3,6-9,15-17H,2,4H2,1H3,(H2,12,13,18)/t6-,7-,8-,9+/m1/s1
InChIKey
ZMQRVVLKVUNUAE-BGZDPUMWSA-N
Compound name
4-amino-1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.1219 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.12918 156.9
[M+Na]+ 278.11112 165.8
[M-H]- 254.11462 157.8
[M+NH4]+ 273.15572 171.2
[M+K]+ 294.08506 161.7
[M+H-H2O]+ 238.11916 150.1
[M+HCOO]- 300.12010 174.3
[M+CH3COO]- 314.13575 191.6
[M+Na-2H]- 276.09657 155.9
[M]+ 255.12135 154.1
[M]- 255.12245 154.1
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.