CID 9565364

477735-04-9

Structural Information

Molecular Formula
C24H26N4O2
SMILES
COC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)C3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C24H26N4O2/c1-30-22-14-12-18(13-15-22)23-20(17-28(27-23)21-10-6-3-7-11-21)16-25-26-24(29)19-8-4-2-5-9-19/h3,6-7,10-17,19H,2,4-5,8-9H2,1H3,(H,26,29)/b25-16+
InChIKey
QXGKSCZTLBEGCU-PCLIKHOPSA-N
Compound name
N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.20557 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.21285 196.8
[M+Na]+ 425.19479 199.7
[M-H]- 401.19829 207.1
[M+NH4]+ 420.23939 205.4
[M+K]+ 441.16873 194.1
[M+H-H2O]+ 385.20283 184.1
[M+HCOO]- 447.20377 217.3
[M+CH3COO]- 461.21942 204.8
[M+Na-2H]- 423.18024 197.1
[M]+ 402.20502 193.7
[M]- 402.20612 193.7
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.