CID 9578641

N,n-diethylglycine ((4-chloro-1-naphthalenyl)methylene)hydrazide hydrochloride

Structural Information

Molecular Formula
C17H20ClN3O
SMILES
CCN(CC)CC(=O)N/N=C/C1=CC=C(C2=CC=CC=C12)Cl
InChI
InChI=1S/C17H20ClN3O/c1-3-21(4-2)12-17(22)20-19-11-13-9-10-16(18)15-8-6-5-7-14(13)15/h5-11H,3-4,12H2,1-2H3,(H,20,22)/b19-11+
InChIKey
IADJMKYWVVTFJI-YBFXNURJSA-N
Compound name
N-[(E)-(4-chloronaphthalen-1-yl)methylideneamino]-2-(diethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1295 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.13678 175.8
[M+Na]+ 340.11872 182.1
[M-H]- 316.12222 182.3
[M+NH4]+ 335.16332 192.7
[M+K]+ 356.09266 177.7
[M+H-H2O]+ 300.12676 168.2
[M+HCOO]- 362.12770 197.6
[M+CH3COO]- 376.14335 219.4
[M+Na-2H]- 338.10417 180.4
[M]+ 317.12895 180.5
[M]- 317.13005 180.5
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.