CID 492053

Chembl344361

Structural Information

Molecular Formula
C12H18N2O3
SMILES
CC1(CCCO1)CC2=CC(=O)N(C(=N2)OC)C
InChI
InChI=1S/C12H18N2O3/c1-12(5-4-6-17-12)8-9-7-10(15)14(2)11(13-9)16-3/h7H,4-6,8H2,1-3H3
InChIKey
ULDADZXCUKNDMH-UHFFFAOYSA-N
Compound name
2-methoxy-3-methyl-6-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.13174 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.13902 150.5
[M+Na]+ 261.12096 159.8
[M-H]- 237.12446 155.7
[M+NH4]+ 256.16556 168.3
[M+K]+ 277.09490 159.0
[M+H-H2O]+ 221.12900 143.3
[M+HCOO]- 283.12994 170.8
[M+CH3COO]- 297.14559 190.3
[M+Na-2H]- 259.10641 155.0
[M]+ 238.13119 153.6
[M]- 238.13229 153.6
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.