CID 509276

1(2h)-pyrimidinebutanamide, 4-[(3-ethyl-4-methylphenyl)amino]-n-(2-furanylmethyl)-3,6-dihydro-n-methyl-2,6-dioxo-

Structural Information

Molecular Formula
C23H28N4O4
SMILES
CCC1=C(C=CC(=C1)NC2=CC(=O)N(C(=O)N2)CCCC(=O)N(C)CC3=CC=CO3)C
InChI
InChI=1S/C23H28N4O4/c1-4-17-13-18(10-9-16(17)2)24-20-14-22(29)27(23(30)25-20)11-5-8-21(28)26(3)15-19-7-6-12-31-19/h6-7,9-10,12-14,24H,4-5,8,11,15H2,1-3H3,(H,25,30)
InChIKey
HKTYRTPJVVZBGH-UHFFFAOYSA-N
Compound name
4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]-N-(furan-2-ylmethyl)-N-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.21106 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.21834 204.9
[M+Na]+ 447.20028 211.0
[M-H]- 423.20378 213.3
[M+NH4]+ 442.24488 211.8
[M+K]+ 463.17422 207.2
[M+H-H2O]+ 407.20832 193.9
[M+HCOO]- 469.20926 225.9
[M+CH3COO]- 483.22491 233.7
[M+Na-2H]- 445.18573 203.8
[M]+ 424.21051 209.6
[M]- 424.21161 209.6
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.