CID 9588348

2-n-butyl-1-(3'-(4''-benzylpiperazinyl)propoxyimino)cyclohexane dihydrogen fumarate

Structural Information

Molecular Formula
C24H39N3O
SMILES
CCCCC\1CCCC/C1=N\OCCCN2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C24H39N3O/c1-2-3-12-23-13-7-8-14-24(23)25-28-20-9-15-26-16-18-27(19-17-26)21-22-10-5-4-6-11-22/h4-6,10-11,23H,2-3,7-9,12-21H2,1H3/b25-24+
InChIKey
CGNGUTPFSFNNNK-OCOZRVBESA-N
Compound name
(E)-N-[3-(4-benzylpiperazin-1-yl)propoxy]-2-butylcyclohexan-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.30933 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.31661 200.4
[M+Na]+ 408.29855 199.2
[M-H]- 384.30205 204.9
[M+NH4]+ 403.34315 208.4
[M+K]+ 424.27249 193.8
[M+H-H2O]+ 368.30659 187.4
[M+HCOO]- 430.30753 214.1
[M+CH3COO]- 444.32318 225.3
[M+Na-2H]- 406.28400 198.9
[M]+ 385.30878 194.9
[M]- 385.30988 194.9
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.