CID 505355

N-[(3,4-dichlorophenyl)methyl]-n'-methyl-3-oxo-n'-phenyl-3-pyrimidin-2-yl-propanehydrazide

Structural Information

Molecular Formula
C21H18Cl2N4O2
SMILES
CN(C1=CC=CC=C1)N(CC2=CC(=C(C=C2)Cl)Cl)C(=O)CC(=O)C3=NC=CC=N3
InChI
InChI=1S/C21H18Cl2N4O2/c1-26(16-6-3-2-4-7-16)27(14-15-8-9-17(22)18(23)12-15)20(29)13-19(28)21-24-10-5-11-25-21/h2-12H,13-14H2,1H3
InChIKey
WURNQUWUTRBPOA-UHFFFAOYSA-N
Compound name
N-[(3,4-dichlorophenyl)methyl]-N'-methyl-3-oxo-N'-phenyl-3-pyrimidin-2-ylpropanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.0807 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.08798 196.2
[M+Na]+ 451.06992 202.1
[M-H]- 427.07342 204.5
[M+NH4]+ 446.11452 204.3
[M+K]+ 467.04386 196.9
[M+H-H2O]+ 411.07796 185.0
[M+HCOO]- 473.07890 208.9
[M+CH3COO]- 487.09455 233.6
[M+Na-2H]- 449.05537 198.2
[M]+ 428.08015 202.1
[M]- 428.08125 202.1
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.