CID 9649001

303107-78-0

Structural Information

Molecular Formula
C20H18Cl2N4O2
SMILES
CCOC1=CC=CC=C1C2=NNC(=C2)C(=O)N/N=C(\C)/C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C20H18Cl2N4O2/c1-3-28-19-7-5-4-6-15(19)17-11-18(25-24-17)20(27)26-23-12(2)14-9-8-13(21)10-16(14)22/h4-11H,3H2,1-2H3,(H,24,25)(H,26,27)/b23-12+
InChIKey
PYKBHGPIGFCZGS-FSJBWODESA-N
Compound name
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-3-(2-ethoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.0807 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.08798 197.3
[M+Na]+ 439.06992 205.1
[M-H]- 415.07342 204.1
[M+NH4]+ 434.11452 207.4
[M+K]+ 455.04386 197.6
[M+H-H2O]+ 399.07796 187.6
[M+HCOO]- 461.07890 210.1
[M+CH3COO]- 475.09455 226.0
[M+Na-2H]- 437.05537 196.6
[M]+ 416.08015 201.6
[M]- 416.08125 201.6
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.