CID 9578633

1-pyrrolidineacetic acid, ((4-chloro-1-naphthalenyl)methylene)hydrazide, monohydrochloride

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]+ 316.121106 174.1
[M+Na]+ 338.103048 180.3
[M-H]- 314.106554 180.7
[M+NH4]+ 333.147653 190.6
[M+K]+ 354.076988 174.2
[M+H-H2O]+ 298.111090 165.5
[M+HCOO]- 360.112031 192.3
[M+CH3COO]- 374.127681 210.0
[M+Na-2H]- 336.088496 177.1
[M]+ 315.11328142 174.1
[M]- 315.11437858 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.