CID 11523147

1h-pyrrole-1-propanoic acid, 5-(4-chlorophenyl)-3-(ethoxycarbonyl)-2-methyl-, hydrazide

Structural Information

Molecular Formula
C17H20ClN3O3
SMILES
CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)Cl)CCC(=O)NN)C
InChI
InChI=1S/C17H20ClN3O3/c1-3-24-17(23)14-10-15(12-4-6-13(18)7-5-12)21(11(14)2)9-8-16(22)20-19/h4-7,10H,3,8-9,19H2,1-2H3,(H,20,22)
InChIKey
YAGPTJYRONADCO-UHFFFAOYSA-N
Compound name
ethyl 5-(4-chlorophenyl)-1-(3-hydrazinyl-3-oxopropyl)-2-methylpyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.11932 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.12660 183.0
[M+Na]+ 372.10854 190.6
[M-H]- 348.11204 188.5
[M+NH4]+ 367.15314 197.0
[M+K]+ 388.08248 185.6
[M+H-H2O]+ 332.11658 175.3
[M+HCOO]- 394.11752 201.7
[M+CH3COO]- 408.13317 216.4
[M+Na-2H]- 370.09399 181.2
[M]+ 349.11877 187.2
[M]- 349.11987 187.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.