CID 15957824

Schembl6087200

Structural Information

Molecular Formula
C23H24N2O6
SMILES
CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3=C(C=CO3)C(=O)OC)C(C)C)C
InChI
InChI=1S/C23H24N2O6/c1-12(2)18-19(20(26)15-9-13(3)8-14(4)10-15)25(23(29)24-21(18)27)11-17-16(6-7-31-17)22(28)30-5/h6-10,12H,11H2,1-5H3,(H,24,27,29)
InChIKey
CIMDNVYVBKTGTH-UHFFFAOYSA-N
Compound name
methyl 2-[[6-(3,5-dimethylbenzoyl)-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl]methyl]furan-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

424.16342 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.17070 198.6
[M+Na]+ 447.15264 207.6
[M-H]- 423.15614 206.8
[M+NH4]+ 442.19724 205.9
[M+K]+ 463.12658 204.6
[M+H-H2O]+ 407.16068 189.5
[M+HCOO]- 469.16162 215.7
[M+CH3COO]- 483.17727 228.5
[M+Na-2H]- 445.13809 194.0
[M]+ 424.16287 205.4
[M]- 424.16397 205.4
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