CID 15957777

Schembl6088668

Structural Information

Molecular Formula
C30H26N2O3
SMILES
CCC1=C(N(C(=O)NC1=O)CC2=C3C=CC=CC3=CC4=CC=CC=C42)C(=O)C5=CC(=CC(=C5)C)C
InChI
InChI=1S/C30H26N2O3/c1-4-23-27(28(33)22-14-18(2)13-19(3)15-22)32(30(35)31-29(23)34)17-26-24-11-7-5-9-20(24)16-21-10-6-8-12-25(21)26/h5-16H,4,17H2,1-3H3,(H,31,34,35)
InChIKey
AIQJUVONWFXREP-UHFFFAOYSA-N
Compound name
1-(anthracen-9-ylmethyl)-6-(3,5-dimethylbenzoyl)-5-ethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

462.19434 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.20162 219.1
[M+Na]+ 485.18356 229.4
[M-H]- 461.18706 227.2
[M+NH4]+ 480.22816 225.6
[M+K]+ 501.15750 220.3
[M+H-H2O]+ 445.19160 205.9
[M+HCOO]- 507.19254 234.6
[M+CH3COO]- 521.20819 226.9
[M+Na-2H]- 483.16901 220.0
[M]+ 462.19379 222.5
[M]- 462.19489 222.5
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

patents stripe