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 187.1
[M+Na]+ 374.16058 189.1
[M-H]- 350.16408 191.1
[M+NH4]+ 369.20518 200.1
[M+K]+ 390.13452 184.9
[M+H-H2O]+ 334.16862 178.8
[M+HCOO]- 396.16956 201.0
[M+CH3COO]- 410.18521 216.5
[M+Na-2H]- 372.14603 183.6
[M]+ 351.17081 186.0
[M]- 351.17191 186.0
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.