CID 135964547

1h-pyrrole-1-propanoic acid, 5-(4-chlorophenyl)-3-(ethoxycarbonyl)-2-methyl-, [(1e)-(2-hydroxyphenyl)methylene]hydrazide

Structural Information

Molecular Formula
C24H24ClN3O4
SMILES
CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)Cl)CCC(=O)N/N=C/C3=CC=CC=C3O)C
InChI
InChI=1S/C24H24ClN3O4/c1-3-32-24(31)20-14-21(17-8-10-19(25)11-9-17)28(16(20)2)13-12-23(30)27-26-15-18-6-4-5-7-22(18)29/h4-11,14-15,29H,3,12-13H2,1-2H3,(H,27,30)/b26-15+
InChIKey
JBNGMHKJEDFMDW-CVKSISIWSA-N
Compound name
ethyl 5-(4-chlorophenyl)-1-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]-2-methylpyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.14554 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.15282 210.2
[M+Na]+ 476.13476 216.7
[M-H]- 452.13826 219.0
[M+NH4]+ 471.17936 219.6
[M+K]+ 492.10870 210.7
[M+H-H2O]+ 436.14280 200.5
[M+HCOO]- 498.14374 228.7
[M+CH3COO]- 512.15939 235.6
[M+Na-2H]- 474.12021 207.7
[M]+ 453.14499 216.5
[M]- 453.14609 216.5
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.