CID 9588028

Brn 0855907

Structural Information

Molecular Formula
C21H26N4O3
SMILES
COC1=C(C=C(C=C1)/C=N/NC(=O)CN2CCN(CC2)C3=CC=CC=C3)OC
InChI
InChI=1S/C21H26N4O3/c1-27-19-9-8-17(14-20(19)28-2)15-22-23-21(26)16-24-10-12-25(13-11-24)18-6-4-3-5-7-18/h3-9,14-15H,10-13,16H2,1-2H3,(H,23,26)/b22-15+
InChIKey
PBWCQWZQGSLNLF-PXLXIMEGSA-N
Compound name
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-phenylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.2005 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.20778 193.5
[M+Na]+ 405.18972 205.1
[M+NH4]+ 400.23432 199.1
[M+K]+ 421.16366 197.7
[M-H]- 381.19322 198.9
[M+Na-2H]- 403.17517 201.3
[M]+ 382.19995 196.3
[M]- 382.20105 196.3
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.