CID 9607136

1-(2-(cyclohexylcarbonyl)carbohydrazonoyl)-2-naphthyl benzoate

Structural Information

Molecular Formula
C25H24N2O3
SMILES
C1CCC(CC1)C(=O)N/N=C/C2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C25H24N2O3/c28-24(19-10-3-1-4-11-19)27-26-17-22-21-14-8-7-9-18(21)15-16-23(22)30-25(29)20-12-5-2-6-13-20/h2,5-9,12-17,19H,1,3-4,10-11H2,(H,27,28)/b26-17+
InChIKey
CYDDSRAPIUZZBQ-YZSQISJMSA-N
Compound name
[1-[(E)-(cyclohexanecarbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.17868 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.18596 194.8
[M+Na]+ 423.16790 196.4
[M-H]- 399.17140 204.5
[M+NH4]+ 418.21250 205.0
[M+K]+ 439.14184 191.7
[M+H-H2O]+ 383.17594 183.5
[M+HCOO]- 445.17688 214.5
[M+CH3COO]- 459.19253 228.1
[M+Na-2H]- 421.15335 197.4
[M]+ 400.17813 191.0
[M]- 400.17923 191.0
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.