CID 3013709

4-amino-1-[(1r)-4,4-bis(hydroxymethyl)-2,3-dimethyl-cyclopent-2-en-1-yl]pyrimidin-2-one

Structural Information

Molecular Formula
C13H19N3O3
SMILES
CC1=C(C(C[C@H]1N2C=CC(=NC2=O)N)(CO)CO)C
InChI
InChI=1S/C13H19N3O3/c1-8-9(2)13(6-17,7-18)5-10(8)16-4-3-11(14)15-12(16)19/h3-4,10,17-18H,5-7H2,1-2H3,(H2,14,15,19)/t10-/m1/s1
InChIKey
GXBMDZSWGKYSFC-SNVBAGLBSA-N
Compound name
4-amino-1-[(1R)-4,4-bis(hydroxymethyl)-2,3-dimethylcyclopent-2-en-1-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.14264 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.14992 159.0
[M+Na]+ 288.13186 168.8
[M-H]- 264.13536 161.4
[M+NH4]+ 283.17646 175.6
[M+K]+ 304.10580 164.5
[M+H-H2O]+ 248.13990 152.4
[M+HCOO]- 310.14084 178.7
[M+CH3COO]- 324.15649 195.2
[M+Na-2H]- 286.11731 160.6
[M]+ 265.14209 158.8
[M]- 265.14319 158.8
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.