CID 9651269

477735-06-1

Structural Information

Molecular Formula
C26H30N4O2
SMILES
CCCOC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)C3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C26H30N4O2/c1-2-17-32-24-15-13-20(14-16-24)25-22(19-30(29-25)23-11-7-4-8-12-23)18-27-28-26(31)21-9-5-3-6-10-21/h4,7-8,11-16,18-19,21H,2-3,5-6,9-10,17H2,1H3,(H,28,31)/b27-18+
InChIKey
GNWSKDRCPFVILH-OVVQPSECSA-N
Compound name
N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.23688 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.24416 208.7
[M+Na]+ 453.22610 220.6
[M+NH4]+ 448.27070 214.9
[M+K]+ 469.20004 213.5
[M-H]- 429.22960 216.3
[M+Na-2H]- 451.21155 217.8
[M]+ 430.23633 212.3
[M]- 430.23743 212.3
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.