CID 9588462

4-methyl-1-piperazineacetic acid 2-(5-chloro-1-naphthylmethylene)hydrazide

Structural Information

Molecular Formula
C18H21ClN4O
SMILES
CN1CCN(CC1)CC(=O)N/N=C/C2=C3C=CC=C(C3=CC=C2)Cl
InChI
InChI=1S/C18H21ClN4O/c1-22-8-10-23(11-9-22)13-18(24)21-20-12-14-4-2-6-16-15(14)5-3-7-17(16)19/h2-7,12H,8-11,13H2,1H3,(H,21,24)/b20-12+
InChIKey
BMQSVGJXTKZMJW-UDWIEESQSA-N
Compound name
N-[(E)-(5-chloronaphthalen-1-yl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.14038 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.14766 180.7
[M+Na]+ 367.12960 193.8
[M+NH4]+ 362.17420 188.5
[M+K]+ 383.10354 185.0
[M-H]- 343.13310 185.5
[M+Na-2H]- 365.11505 187.6
[M]+ 344.13983 184.1
[M]- 344.14093 184.1
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.