CID 9578633

((4-chloro-1-naphthalenyl)methylene)hydrazide 1-pyrrolidineacetic acid hydrochloride

Structural Information

Molecular Formula
C17H18ClN3O
SMILES
C1CCN(C1)CC(=O)N/N=C/C2=CC=C(C3=CC=CC=C23)Cl
InChI
InChI=1S/C17H18ClN3O/c18-16-8-7-13(14-5-1-2-6-15(14)16)11-19-20-17(22)12-21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10,12H2,(H,20,22)/b19-11+
InChIKey
LAHYJEMIBWIDTL-YBFXNURJSA-N
Compound name
N-[(E)-(4-chloronaphthalen-1-yl)methylideneamino]-2-pyrrolidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.11383 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.12111 174.1
[M+Na]+ 338.10305 180.3
[M-H]- 314.10655 180.7
[M+NH4]+ 333.14765 190.6
[M+K]+ 354.07699 174.2
[M+H-H2O]+ 298.11109 165.5
[M+HCOO]- 360.11203 192.3
[M+CH3COO]- 374.12768 210.0
[M+Na-2H]- 336.08850 177.1
[M]+ 315.11328 174.1
[M]- 315.11438 174.1
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.