CID 9663520

303107-63-3

Structural Information

Molecular Formula
C22H24N4O3
SMILES
CCOC1=CC=C(C=C1)/C(=N/NC(=O)C2=CC(=NN2)C3=CC(=CC=C3)OCC)/C
InChI
InChI=1S/C22H24N4O3/c1-4-28-18-11-9-16(10-12-18)15(3)23-26-22(27)21-14-20(24-25-21)17-7-6-8-19(13-17)29-5-2/h6-14H,4-5H2,1-3H3,(H,24,25)(H,26,27)/b23-15+
InChIKey
OCFNIKSLUWCNLC-HZHRSRAPSA-N
Compound name
3-(3-ethoxyphenyl)-N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.18484 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.19212 196.2
[M+Na]+ 415.17406 207.3
[M+NH4]+ 410.21866 201.0
[M+K]+ 431.14800 202.7
[M-H]- 391.17756 200.5
[M+Na-2H]- 413.15951 203.6
[M]+ 392.18429 198.6
[M]- 392.18539 198.6
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.