CID 9588042

Brn 0841746

Structural Information

Molecular Formula
C20H24N4O
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)CC(=O)N/N=C/C3=CC=CC=C3
InChI
InChI=1S/C20H24N4O/c1-17-7-9-19(10-8-17)24-13-11-23(12-14-24)16-20(25)22-21-15-18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3,(H,22,25)/b21-15+
InChIKey
HCYQKCPPMQQMFD-RCCKNPSSSA-N
Compound name
N-[(E)-benzylideneamino]-2-[4-(4-methylphenyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.195 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.20228 183.3
[M+Na]+ 359.18422 195.7
[M+NH4]+ 354.22882 190.3
[M+K]+ 375.15816 187.3
[M-H]- 335.18772 189.6
[M+Na-2H]- 357.16967 192.5
[M]+ 336.19445 186.6
[M]- 336.19555 186.6
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.