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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.17864 184.8
[M+Na]+ 374.16058 192.1
[M+NH4]+ 369.20518 190.5
[M+K]+ 390.13452 188.7
[M-H]- 350.16408 186.7
[M+Na-2H]- 372.14603 188.1
[M]+ 351.17081 186.1
[M]- 351.17191 186.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.