CID 16076844

1-[(1r,2s)-2-(hydroxymethyl)-1-phenyl-cyclopropyl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C15H16N2O3
SMILES
CC1=CN(C(=O)NC1=O)[C@@]2(C[C@@H]2CO)C3=CC=CC=C3
InChI
InChI=1S/C15H16N2O3/c1-10-8-17(14(20)16-13(10)19)15(7-12(15)9-18)11-5-3-2-4-6-11/h2-6,8,12,18H,7,9H2,1H3,(H,16,19,20)/t12-,15+/m1/s1
InChIKey
AVSWGOUOERQVTN-DOMZBBRYSA-N
Compound name
1-[(1R,2S)-2-(hydroxymethyl)-1-phenylcyclopropyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1161 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12338 164.9
[M+Na]+ 295.10532 176.8
[M-H]- 271.10882 171.1
[M+NH4]+ 290.14992 174.8
[M+K]+ 311.07926 170.7
[M+H-H2O]+ 255.11336 157.3
[M+HCOO]- 317.11430 184.6
[M+CH3COO]- 331.12995 195.8
[M+Na-2H]- 293.09077 169.7
[M]+ 272.11555 167.6
[M]- 272.11665 167.6
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.