CID 505179

N,n-dimethyl-3-[(3-oxo-3-pyrimidin-2-yl-propionyl)-(4-trifluoromethyl-benzyl)-amino]-benzamide

Structural Information

Molecular Formula
C24H21F3N4O3
SMILES
CN(C)C(=O)C1=CC(=CC=C1)N(CC2=CC=C(C=C2)C(F)(F)F)C(=O)CC(=O)C3=NC=CC=N3
InChI
InChI=1S/C24H21F3N4O3/c1-30(2)23(34)17-5-3-6-19(13-17)31(15-16-7-9-18(10-8-16)24(25,26)27)21(33)14-20(32)22-28-11-4-12-29-22/h3-13H,14-15H2,1-2H3
InChIKey
VMXGQIJATUSOTN-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-[(3-oxo-3-pyrimidin-2-ylpropanoyl)-[[4-(trifluoromethyl)phenyl]methyl]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.1566 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.16388 209.1
[M+Na]+ 493.14582 213.1
[M-H]- 469.14932 214.4
[M+NH4]+ 488.19042 213.7
[M+K]+ 509.11976 209.7
[M+H-H2O]+ 453.15386 194.4
[M+HCOO]- 515.15480 224.9
[M+CH3COO]- 529.17045 244.3
[M+Na-2H]- 491.13127 209.1
[M]+ 470.15605 208.2
[M]- 470.15715 208.2
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.