CID 51060295

4-(2-(2-(4-chlorophenoxy)propanoyl)carbohydrazonoyl)phenyl 3-methylbenzoate

Structural Information

Molecular Formula
C24H21ClN2O4
SMILES
CC1=CC(=CC=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C(C)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H21ClN2O4/c1-16-4-3-5-19(14-16)24(29)31-22-10-6-18(7-11-22)15-26-27-23(28)17(2)30-21-12-8-20(25)9-13-21/h3-15,17H,1-2H3,(H,27,28)/b26-15+
InChIKey
BWBYYNASIPAEHP-CVKSISIWSA-N
Compound name
[4-[(E)-[2-(4-chlorophenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.119 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.12628 204.3
[M+Na]+ 459.10822 209.5
[M-H]- 435.11172 214.8
[M+NH4]+ 454.15282 213.8
[M+K]+ 475.08216 204.8
[M+H-H2O]+ 419.11626 194.1
[M+HCOO]- 481.11720 223.8
[M+CH3COO]- 495.13285 233.8
[M+Na-2H]- 457.09367 204.8
[M]+ 436.11845 209.8
[M]- 436.11955 209.8
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.