CID 5514902

2-[4-(2-chlorobenzyl)piperazin-1-yl]-n'-[(e)-(2-methoxyphenyl)methylidene]acetohydrazide

Structural Information

Molecular Formula
C21H25ClN4O2
SMILES
COC1=CC=CC=C1/C=N\NC(=O)CN2CCN(CC2)CC3=CC=CC=C3Cl
InChI
InChI=1S/C21H25ClN4O2/c1-28-20-9-5-3-6-17(20)14-23-24-21(27)16-26-12-10-25(11-13-26)15-18-7-2-4-8-19(18)22/h2-9,14H,10-13,15-16H2,1H3,(H,24,27)/b23-14-
InChIKey
JOYTZSANRMPYQD-UCQKPKSFSA-N
Compound name
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.1666 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.17388 196.7
[M+Na]+ 423.15582 200.7
[M-H]- 399.15932 203.4
[M+NH4]+ 418.20042 205.1
[M+K]+ 439.12976 194.5
[M+H-H2O]+ 383.16386 184.9
[M+HCOO]- 445.16480 211.6
[M+CH3COO]- 459.18045 226.7
[M+Na-2H]- 421.14127 198.3
[M]+ 400.16605 196.8
[M]- 400.16715 196.8
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.