CID 505209

3-[(3-chloro-4-methoxy-phenyl)methyl-[3-(4-methoxypyrimidin-2-yl)-3-oxo-propanoyl]amino]-n,n-dimethyl-benzamide

Structural Information

Molecular Formula
C25H25ClN4O5
SMILES
CN(C)C(=O)C1=CC(=CC=C1)N(CC2=CC(=C(C=C2)OC)Cl)C(=O)CC(=O)C3=NC=CC(=N3)OC
InChI
InChI=1S/C25H25ClN4O5/c1-29(2)25(33)17-6-5-7-18(13-17)30(15-16-8-9-21(34-3)19(26)12-16)23(32)14-20(31)24-27-11-10-22(28-24)35-4/h5-13H,14-15H2,1-4H3
InChIKey
ADZNBTJHYDNWLE-UHFFFAOYSA-N
Compound name
3-[(3-chloro-4-methoxyphenyl)methyl-[3-(4-methoxypyrimidin-2-yl)-3-oxopropanoyl]amino]-N,N-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.15134 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.15862 215.1
[M+Na]+ 519.14056 220.0
[M-H]- 495.14406 224.7
[M+NH4]+ 514.18516 220.0
[M+K]+ 535.11450 217.7
[M+H-H2O]+ 479.14860 203.1
[M+HCOO]- 541.14954 231.4
[M+CH3COO]- 555.16519 249.8
[M+Na-2H]- 517.12601 213.9
[M]+ 496.15079 224.4
[M]- 496.15189 224.4
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.