CID 6474741

Chembl291521

Structural Information

Molecular Formula
C20H18N2O2S
SMILES
CC1=C(N(C(=O)NC1=O)C/C=C/C2=CC=CC=C2)SC3=CC=CC=C3
InChI
InChI=1S/C20H18N2O2S/c1-15-18(23)21-20(24)22(14-8-11-16-9-4-2-5-10-16)19(15)25-17-12-6-3-7-13-17/h2-13H,14H2,1H3,(H,21,23,24)/b11-8+
InChIKey
DJYIGLXJQVOCGM-DHZHZOJOSA-N
Compound name
5-methyl-1-[(E)-3-phenylprop-2-enyl]-6-phenylsulfanylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

350.1089 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.11618 182.3
[M+Na]+ 373.09812 192.0
[M-H]- 349.10162 188.5
[M+NH4]+ 368.14272 192.6
[M+K]+ 389.07206 183.0
[M+H-H2O]+ 333.10616 172.4
[M+HCOO]- 395.10710 197.8
[M+CH3COO]- 409.12275 192.2
[M+Na-2H]- 371.08357 183.5
[M]+ 350.10835 184.2
[M]- 350.10945 184.2
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.