CID 6478536

N,n-dimethyl-3-[(3-oxo-3-pyrimidin-2-yl-propanoyl)-[(e)-3-[3-(trifluoromethyl)phenyl]allyl]amino]benzamide

Structural Information

Molecular Formula
C26H23F3N4O3
SMILES
CN(C)C(=O)C1=CC(=CC=C1)N(C/C=C/C2=CC(=CC=C2)C(F)(F)F)C(=O)CC(=O)C3=NC=CC=N3
InChI
InChI=1S/C26H23F3N4O3/c1-32(2)25(36)19-9-4-11-21(16-19)33(23(35)17-22(34)24-30-12-6-13-31-24)14-5-8-18-7-3-10-20(15-18)26(27,28)29/h3-13,15-16H,14,17H2,1-2H3/b8-5+
InChIKey
GOXDPIRNPMOLGL-VMPITWQZSA-N
Compound name
N,N-dimethyl-3-[(3-oxo-3-pyrimidin-2-ylpropanoyl)-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.1722 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.17948 217.3
[M+Na]+ 519.16142 220.7
[M-H]- 495.16492 222.2
[M+NH4]+ 514.20602 220.8
[M+K]+ 535.13536 216.3
[M+H-H2O]+ 479.16946 202.3
[M+HCOO]- 541.17040 232.6
[M+CH3COO]- 555.18605 248.6
[M+Na-2H]- 517.14687 216.2
[M]+ 496.17165 216.2
[M]- 496.17275 216.2
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.