CID 16074522

1-[(e)-cinnamyl]-5-isopropyl-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C27H24N2O3
SMILES
CC(C)C1=C(N(C(=O)NC1=O)C/C=C/C2=CC=CC=C2)C(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C27H24N2O3/c1-18(2)23-24(25(30)22-16-8-14-20-13-6-7-15-21(20)22)29(27(32)28-26(23)31)17-9-12-19-10-4-3-5-11-19/h3-16,18H,17H2,1-2H3,(H,28,31,32)/b12-9+
InChIKey
IKTFXQGTMULAGI-FMIVXFBMSA-N
Compound name
6-(naphthalene-1-carbonyl)-1-[(E)-3-phenylprop-2-enyl]-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

424.17868 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.18596 205.4
[M+Na]+ 447.16790 212.8
[M-H]- 423.17140 211.8
[M+NH4]+ 442.21250 212.1
[M+K]+ 463.14184 204.3
[M+H-H2O]+ 407.17594 193.5
[M+HCOO]- 469.17688 220.8
[M+CH3COO]- 483.19253 213.1
[M+Na-2H]- 445.15335 205.7
[M]+ 424.17813 205.7
[M]- 424.17923 205.7
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.