CID 9680517

477734-52-4

Structural Information

Molecular Formula
C24H26N4O
SMILES
CC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)C3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C24H26N4O/c1-18-12-14-19(15-13-18)23-21(17-28(27-23)22-10-6-3-7-11-22)16-25-26-24(29)20-8-4-2-5-9-20/h3,6-7,10-17,20H,2,4-5,8-9H2,1H3,(H,26,29)/b25-16+
InChIKey
ABURFHGJNWESDS-PCLIKHOPSA-N
Compound name
N-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.21066 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.21794 194.3
[M+Na]+ 409.19988 197.4
[M-H]- 385.20338 204.6
[M+NH4]+ 404.24448 203.7
[M+K]+ 425.17382 191.1
[M+H-H2O]+ 369.20792 181.7
[M+HCOO]- 431.20886 214.7
[M+CH3COO]- 445.22451 202.5
[M+Na-2H]- 407.18533 194.4
[M]+ 386.21011 189.8
[M]- 386.21121 189.8
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.