CID 3079178

2-pyrrolidinomethyl-4-(p-chlorophenyl)-4-hydroxybutyric acid isopropylidenehydrazide

Structural Information

Molecular Formula

C₁₈H₂₆ClN₃O₂

SMILES

CC(=NNC(=O)C(CC(C1=CC=C(C=C1)Cl)O)CN2CCCC2)C

InChI

InChI=1S/C18H26ClN3O2/c1-13(2)20-21-18(24)15(12-22-9-3-4-10-22)11-17(23)14-5-7-16(19)8-6-14/h5-8,15,17,23H,3-4,9-12H2,1-2H3,(H,21,24)

InChIKey

JXDRTTNJEIKNRL-UHFFFAOYSA-N

Compound name

4-(4-chlorophenyl)-4-hydroxy-N-(propan-2-ylideneamino)-2-(pyrrolidin-1-ylmethyl)butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 351.17136 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	352.178636	187.1
[M+Na]+	374.160578	189.1
[M-H]-	350.164084	191.1
[M+NH4]+	369.205183	200.1
[M+K]+	390.134518	184.9
[M+H-H2O]+	334.168620	178.8
[M+HCOO]-	396.169561	201.0
[M+CH3COO]-	410.185211	216.5
[M+Na-2H]-	372.146026	183.6
[M]+	351.17081142	186.0
[M]-	351.17190858	186.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.