CID 6888189

634899-26-6

Structural Information

Molecular Formula
C22H24N4O3
SMILES
CCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=C(C=C3)OC
InChI
InChI=1S/C22H24N4O3/c1-3-4-13-29-19-11-7-17(8-12-19)20-14-21(25-24-20)22(27)26-23-15-16-5-9-18(28-2)10-6-16/h5-12,14-15H,3-4,13H2,1-2H3,(H,24,25)(H,26,27)/b23-15+
InChIKey
GSCQUYYVMLFFIY-HZHRSRAPSA-N
Compound name
3-(4-butoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.18484 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.19212 196.8
[M+Na]+ 415.17406 208.3
[M+NH4]+ 410.21866 201.8
[M+K]+ 431.14800 202.8
[M-H]- 391.17756 201.3
[M+Na-2H]- 413.15951 204.5
[M]+ 392.18429 199.4
[M]- 392.18539 199.4
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.