CID 5797998

4-(2-decanoylcarbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C24H29ClN2O3
SMILES
CCCCCCCCCC(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C24H29ClN2O3/c1-2-3-4-5-6-7-8-9-23(28)27-26-18-19-10-16-22(17-11-19)30-24(29)20-12-14-21(25)15-13-20/h10-18H,2-9H2,1H3,(H,27,28)/b26-18+
InChIKey
OZFJTXXUUQTNLV-NLRVBDNBSA-N
Compound name
[4-[(E)-(decanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.18668 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.19396 207.4
[M+Na]+ 451.17590 211.1
[M-H]- 427.17940 213.8
[M+NH4]+ 446.22050 217.9
[M+K]+ 467.14984 205.0
[M+H-H2O]+ 411.18394 197.9
[M+HCOO]- 473.18488 226.6
[M+CH3COO]- 487.20053 233.5
[M+Na-2H]- 449.16135 207.0
[M]+ 428.18613 214.2
[M]- 428.18723 214.2
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.