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 161.6
[M+Na]+ 288.08740 167.2
[M-H]- 264.09090 167.4
[M+NH4]+ 283.13200 179.1
[M+K]+ 304.06134 162.7
[M+H-H2O]+ 248.09544 153.4
[M+HCOO]- 310.09638 181.4
[M+CH3COO]- 324.11203 199.3
[M+Na-2H]- 286.07285 164.4
[M]+ 265.09763 160.8
[M]- 265.09873 160.8
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.