CID 6477696

Chembl132921

Structural Information

Molecular Formula
C16H18N2O3
SMILES
CC1=CN(C(=O)NC1=O)C/C=C\COCC2=CC=CC=C2
InChI
InChI=1S/C16H18N2O3/c1-13-11-18(16(20)17-15(13)19)9-5-6-10-21-12-14-7-3-2-4-8-14/h2-8,11H,9-10,12H2,1H3,(H,17,19,20)/b6-5-
InChIKey
UWVHGIHVWKAXQU-WAYWQWQTSA-N
Compound name
5-methyl-1-[(Z)-4-phenylmethoxybut-2-enyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.13174 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13902 165.6
[M+Na]+ 309.12096 174.4
[M-H]- 285.12446 168.4
[M+NH4]+ 304.16556 178.0
[M+K]+ 325.09490 168.6
[M+H-H2O]+ 269.12900 156.4
[M+HCOO]- 331.12994 186.3
[M+CH3COO]- 345.14559 197.6
[M+Na-2H]- 307.10641 170.0
[M]+ 286.13119 167.7
[M]- 286.13229 167.7
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.