CID 505308

N-[(3,4-dichlorophenyl)methyl]-3-(4-methoxypyrimidin-2-yl)-3-oxo-n-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide

Structural Information

Molecular Formula
C26H24Cl2N4O4
SMILES
COC1=NC(=NC=C1)C(=O)CC(=O)N(CC2=CC(=C(C=C2)Cl)Cl)C3=CC=C(C=C3)C(=O)N4CCCC4
InChI
InChI=1S/C26H24Cl2N4O4/c1-36-23-10-11-29-25(30-23)22(33)15-24(34)32(16-17-4-9-20(27)21(28)14-17)19-7-5-18(6-8-19)26(35)31-12-2-3-13-31/h4-11,14H,2-3,12-13,15-16H2,1H3
InChIKey
REWFDROKSHOTPI-UHFFFAOYSA-N
Compound name
N-[(3,4-dichlorophenyl)methyl]-3-(4-methoxypyrimidin-2-yl)-3-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.11743 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.12471 219.1
[M+Na]+ 549.10665 223.7
[M-H]- 525.11015 228.0
[M+NH4]+ 544.15125 223.0
[M+K]+ 565.08059 218.1
[M+H-H2O]+ 509.11469 206.7
[M+HCOO]- 571.11563 226.0
[M+CH3COO]- 585.13128 244.9
[M+Na-2H]- 547.09210 214.4
[M]+ 526.11688 224.1
[M]- 526.11798 224.1
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.