CID 135810908

315198-43-7

Structural Information

Molecular Formula
C21H25ClN4O3
SMILES
COC1=C(C=CC(=C1)/C=N\NC(=O)CN2CCN(CC2)CC3=CC=CC=C3Cl)O
InChI
InChI=1S/C21H25ClN4O3/c1-29-20-12-16(6-7-19(20)27)13-23-24-21(28)15-26-10-8-25(9-11-26)14-17-4-2-3-5-18(17)22/h2-7,12-13,27H,8-11,14-15H2,1H3,(H,24,28)/b23-13-
InChIKey
FARYFJLQNQDSJE-QRVIBDJDSA-N
Compound name
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.16153 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.16881 199.6
[M+Na]+ 439.15075 211.8
[M+NH4]+ 434.19535 205.2
[M+K]+ 455.12469 204.1
[M-H]- 415.15425 204.6
[M+Na-2H]- 437.13620 206.6
[M]+ 416.16098 202.7
[M]- 416.16208 202.7
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.