CID 51061062

4-(2-(cyclohexylcarbonyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C21H21ClN2O3
SMILES
C1CCC(CC1)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H21ClN2O3/c22-18-10-8-17(9-11-18)21(26)27-19-12-6-15(7-13-19)14-23-24-20(25)16-4-2-1-3-5-16/h6-14,16H,1-5H2,(H,24,25)/b23-14+
InChIKey
LDOCUTZVZPYZRB-OEAKJJBVSA-N
Compound name
[4-[(E)-(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.12408 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.13136 190.7
[M+Na]+ 407.11330 194.0
[M-H]- 383.11680 200.2
[M+NH4]+ 402.15790 202.2
[M+K]+ 423.08724 188.8
[M+H-H2O]+ 367.12134 181.2
[M+HCOO]- 429.12228 207.9
[M+CH3COO]- 443.13793 221.9
[M+Na-2H]- 405.09875 191.7
[M]+ 384.12353 189.7
[M]- 384.12463 189.7
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.