CID 5514902

315198-58-4

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 196.5
[M+Na]+ 423.15582 209.5
[M+NH4]+ 418.20042 203.1
[M+K]+ 439.12976 200.6
[M-H]- 399.15932 202.4
[M+Na-2H]- 421.14127 204.8
[M]+ 400.16605 200.1
[M]- 400.16715 200.1
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.