CID 9588029

Brn 0856789

Structural Information

Molecular Formula
C20H22N4O3
SMILES
C1CN(CCN1CC(=O)N/N=C/C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4
InChI
InChI=1S/C20H22N4O3/c25-20(22-21-13-16-6-7-18-19(12-16)27-15-26-18)14-23-8-10-24(11-9-23)17-4-2-1-3-5-17/h1-7,12-13H,8-11,14-15H2,(H,22,25)/b21-13+
InChIKey
YXFJDUSJPKVHHV-FYJGNVAPSA-N
Compound name
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4-phenylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.1692 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.17648 188.1
[M+Na]+ 389.15842 199.4
[M+NH4]+ 384.20302 194.6
[M+K]+ 405.13236 194.7
[M-H]- 365.16192 196.1
[M+Na-2H]- 387.14387 193.8
[M]+ 366.16865 191.7
[M]- 366.16975 191.7
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.