CID 9588041

Brn 0860150

Structural Information

Molecular Formula
C21H24N4O3
SMILES
CC1=CC(=CC=C1)N2CCN(CC2)CC(=O)N/N=C/C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C21H24N4O3/c1-16-3-2-4-18(11-16)25-9-7-24(8-10-25)14-21(26)23-22-13-17-5-6-19-20(12-17)28-15-27-19/h2-6,11-13H,7-10,14-15H2,1H3,(H,23,26)/b22-13+
InChIKey
CAXPVQBYOFKWQU-LPYMAVHISA-N
Compound name
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.18484 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.19212 192.7
[M+Na]+ 403.17406 204.2
[M+NH4]+ 398.21866 199.1
[M+K]+ 419.14800 199.5
[M-H]- 379.17756 200.8
[M+Na-2H]- 401.15951 197.9
[M]+ 380.18429 196.4
[M]- 380.18539 196.4
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.