CID 505328

2-chloro-4-[(3,4-dichlorophenyl)methyl-[3-(4-methylpyrimidin-2-yl)-3-oxo-propanoyl]amino]benzamide

Structural Information

Molecular Formula
C22H17Cl3N4O3
SMILES
CC1=NC(=NC=C1)C(=O)CC(=O)N(CC2=CC(=C(C=C2)Cl)Cl)C3=CC(=C(C=C3)C(=O)N)Cl
InChI
InChI=1S/C22H17Cl3N4O3/c1-12-6-7-27-22(28-12)19(30)10-20(31)29(11-13-2-5-16(23)18(25)8-13)14-3-4-15(21(26)32)17(24)9-14/h2-9H,10-11H2,1H3,(H2,26,32)
InChIKey
QQAACESRPLHZHD-UHFFFAOYSA-N
Compound name
2-chloro-4-[(3,4-dichlorophenyl)methyl-[3-(4-methylpyrimidin-2-yl)-3-oxopropanoyl]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.03662 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.04390 206.0
[M+Na]+ 513.02584 213.7
[M-H]- 489.02934 212.4
[M+NH4]+ 508.07044 211.9
[M+K]+ 528.99978 207.6
[M+H-H2O]+ 473.03388 196.6
[M+HCOO]- 535.03482 211.6
[M+CH3COO]- 549.05047 242.5
[M+Na-2H]- 511.01129 203.5
[M]+ 490.03607 212.1
[M]- 490.03717 212.1
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.