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 181.7
[M+Na]+ 367.12960 187.4
[M-H]- 343.13310 186.5
[M+NH4]+ 362.17420 193.9
[M+K]+ 383.10354 181.1
[M+H-H2O]+ 327.13764 171.5
[M+HCOO]- 389.13858 195.9
[M+CH3COO]- 403.15423 217.5
[M+Na-2H]- 365.11505 185.4
[M]+ 344.13983 180.7
[M]- 344.14093 180.7
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.