CID 9578629

((4-chlorophenyl)methylene)hydrazide 1-pyrrolidineacetic acid hydrochloride hydrate

Structural Information

Molecular Formula
C13H16ClN3O
SMILES
C1CCN(C1)CC(=O)N/N=C/C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H16ClN3O/c14-12-5-3-11(4-6-12)9-15-16-13(18)10-17-7-1-2-8-17/h3-6,9H,1-2,7-8,10H2,(H,16,18)/b15-9+
InChIKey
MXRIPOAORIYLRJ-OQLLNIDSSA-N
Compound name
N-[(E)-(4-chlorophenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.09818 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10546 160.4
[M+Na]+ 288.08740 170.9
[M+NH4]+ 283.13200 168.3
[M+K]+ 304.06134 165.3
[M-H]- 264.09090 164.2
[M+Na-2H]- 286.07285 167.0
[M]+ 265.09763 162.9
[M]- 265.09873 162.9
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.