CID 9588025

Brn 0855356

Structural Information

Molecular Formula
C20H24N4O3
SMILES
COC1=C(C=C(C=C1)/C=N/NC(=O)CN2CCN(CC2)C3=CC=CC=C3)O
InChI
InChI=1S/C20H24N4O3/c1-27-19-8-7-16(13-18(19)25)14-21-22-20(26)15-23-9-11-24(12-10-23)17-5-3-2-4-6-17/h2-8,13-14,25H,9-12,15H2,1H3,(H,22,26)/b21-14+
InChIKey
PDAIJBDOTQBSOL-KGENOOAVSA-N
Compound name
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-phenylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.18484 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.19212 189.4
[M+Na]+ 391.17406 200.6
[M+NH4]+ 386.21866 194.9
[M+K]+ 407.14800 193.9
[M-H]- 367.17756 194.3
[M+Na-2H]- 389.15951 196.9
[M]+ 368.18429 192.0
[M]- 368.18539 192.0
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.