CID 505327

N-(3-chloro-benzyl)-3-(4-methoxy-pyrimidin-2-yl)-n-[4-(morpholine-4-carbonyl)-phenyl]-3-oxo-propionamide

Structural Information

Molecular Formula
C26H25ClN4O5
SMILES
COC1=NC(=NC=C1)C(=O)CC(=O)N(CC2=CC(=CC=C2)Cl)C3=CC=C(C=C3)C(=O)N4CCOCC4
InChI
InChI=1S/C26H25ClN4O5/c1-35-23-9-10-28-25(29-23)22(32)16-24(33)31(17-18-3-2-4-20(27)15-18)21-7-5-19(6-8-21)26(34)30-11-13-36-14-12-30/h2-10,15H,11-14,16-17H2,1H3
InChIKey
MSWFBXVRMXMEMX-UHFFFAOYSA-N
Compound name
N-[(3-chlorophenyl)methyl]-3-(4-methoxypyrimidin-2-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.15134 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.15862 217.8
[M+Na]+ 531.14056 220.3
[M-H]- 507.14406 226.8
[M+NH4]+ 526.18516 217.9
[M+K]+ 547.11450 217.0
[M+H-H2O]+ 491.14860 203.7
[M+HCOO]- 553.14954 226.5
[M+CH3COO]- 567.16519 243.6
[M+Na-2H]- 529.12601 216.7
[M]+ 508.15079 220.3
[M]- 508.15189 220.3
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.