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]+ 393.192116 194.0
[M+Na]+ 415.174058 199.0
[M-H]- 391.177564 201.1
[M+NH4]+ 410.218663 203.2
[M+K]+ 431.147998 193.7
[M+H-H2O]+ 375.182100 182.5
[M+HCOO]- 437.183041 217.1
[M+CH3COO]- 451.198691 224.6
[M+Na-2H]- 413.159506 195.7
[M]+ 392.18429142 196.7
[M]- 392.18538858 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.