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 194.0
[M+Na]+ 415.17406 199.0
[M-H]- 391.17756 201.1
[M+NH4]+ 410.21866 203.2
[M+K]+ 431.14800 193.7
[M+H-H2O]+ 375.18210 182.5
[M+HCOO]- 437.18304 217.1
[M+CH3COO]- 451.19869 224.6
[M+Na-2H]- 413.15951 195.7
[M]+ 392.18429 196.7
[M]- 392.18539 196.7
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.