CID 505247

N,n-dimethyl-3-[(3-oxo-3-pyrimidin-2-yl-propanoyl)-(2-quinolylmethyl)amino]benzamide

Structural Information

Molecular Formula
C26H23N5O3
SMILES
CN(C)C(=O)C1=CC(=CC=C1)N(CC2=NC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC=N4
InChI
InChI=1S/C26H23N5O3/c1-30(2)26(34)19-8-5-9-21(15-19)31(24(33)16-23(32)25-27-13-6-14-28-25)17-20-12-11-18-7-3-4-10-22(18)29-20/h3-15H,16-17H2,1-2H3
InChIKey
DZNXAGGNUWLLCH-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-[(3-oxo-3-pyrimidin-2-ylpropanoyl)-(quinolin-2-ylmethyl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.18008 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.18736 208.2
[M+Na]+ 476.16930 211.4
[M-H]- 452.17280 216.3
[M+NH4]+ 471.21390 212.5
[M+K]+ 492.14324 207.6
[M+H-H2O]+ 436.17734 194.4
[M+HCOO]- 498.17828 226.0
[M+CH3COO]- 512.19393 243.1
[M+Na-2H]- 474.15475 211.5
[M]+ 453.17953 210.4
[M]- 453.18063 210.4
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.