CID 9651865

302917-96-0

Structural Information

Molecular Formula
C20H19ClN4O2
SMILES
CCOC1=CC=CC(=C1)C2=NNC(=C2)C(=O)N/N=C(\C)/C3=CC=CC=C3Cl
InChI
InChI=1S/C20H19ClN4O2/c1-3-27-15-8-6-7-14(11-15)18-12-19(24-23-18)20(26)25-22-13(2)16-9-4-5-10-17(16)21/h4-12H,3H2,1-2H3,(H,23,24)(H,25,26)/b22-13+
InChIKey
PLCBTHFKXDPBOP-LPYMAVHISA-N
Compound name
N-[(E)-1-(2-chlorophenyl)ethylideneamino]-3-(3-ethoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.11966 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.12694 190.6
[M+Na]+ 405.10888 197.2
[M-H]- 381.11238 197.9
[M+NH4]+ 400.15348 201.2
[M+K]+ 421.08282 190.7
[M+H-H2O]+ 365.11692 180.3
[M+HCOO]- 427.11786 208.6
[M+CH3COO]- 441.13351 221.0
[M+Na-2H]- 403.09433 191.5
[M]+ 382.11911 193.1
[M]- 382.12021 193.1
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.