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 187.9
[M+Na]+ 391.17406 191.0
[M-H]- 367.17756 193.8
[M+NH4]+ 386.21866 195.9
[M+K]+ 407.14800 186.5
[M+H-H2O]+ 351.18210 176.1
[M+HCOO]- 413.18304 206.5
[M+CH3COO]- 427.19869 220.3
[M+Na-2H]- 389.15951 190.4
[M]+ 368.18429 184.9
[M]- 368.18539 184.9
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.