CID 9588036

Brn 0840081

Structural Information

Molecular Formula
C20H24N4O
SMILES
CC1=CC(=CC=C1)N2CCN(CC2)CC(=O)N/N=C/C3=CC=CC=C3
InChI
InChI=1S/C20H24N4O/c1-17-6-5-9-19(14-17)24-12-10-23(11-13-24)16-20(25)22-21-15-18-7-3-2-4-8-18/h2-9,14-15H,10-13,16H2,1H3,(H,22,25)/b21-15+
InChIKey
RKUKMONIZXRNOO-RCCKNPSSSA-N
Compound name
N-[(E)-benzylideneamino]-2-[4-(3-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 182.1
[M+Na]+ 359.18422 185.1
[M-H]- 335.18772 188.8
[M+NH4]+ 354.22882 192.0
[M+K]+ 375.15816 179.8
[M+H-H2O]+ 319.19226 170.1
[M+HCOO]- 381.19320 201.8
[M+CH3COO]- 395.20885 216.9
[M+Na-2H]- 357.16967 185.4
[M]+ 336.19445 177.6
[M]- 336.19555 177.6
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.