CID 9633347

303107-62-2

Structural Information

Molecular Formula
C21H25FN4O
SMILES
C/C(=N\NC(=O)CN1CCN(CC1)CC2=CC=CC=C2)/C3=CC=C(C=C3)F
InChI
InChI=1S/C21H25FN4O/c1-17(19-7-9-20(22)10-8-19)23-24-21(27)16-26-13-11-25(12-14-26)15-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,24,27)/b23-17+
InChIKey
MHFRFFHRFOWZRC-HAVVHWLPSA-N
Compound name
2-(4-benzylpiperazin-1-yl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.20123 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.20851 189.5
[M+Na]+ 391.19045 191.8
[M-H]- 367.19395 194.8
[M+NH4]+ 386.23505 198.0
[M+K]+ 407.16439 186.5
[M+H-H2O]+ 351.19849 176.6
[M+HCOO]- 413.19943 206.9
[M+CH3COO]- 427.21508 223.4
[M+Na-2H]- 389.17590 190.6
[M]+ 368.20068 183.9
[M]- 368.20178 183.9
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.