CID 9588358

2-allyl-1-(3'-(4''-methylpiperazinyl)propoxyimino)cyclohexane dihydrogen fumarate

Structural Information

Molecular Formula
C17H31N3O
SMILES
CN1CCN(CC1)CCCO/N=C/2\CCCCC2CC=C
InChI
InChI=1S/C17H31N3O/c1-3-7-16-8-4-5-9-17(16)18-21-15-6-10-20-13-11-19(2)12-14-20/h3,16H,1,4-15H2,2H3/b18-17+
InChIKey
DLRHTGGUXIMRHK-ISLYRVAYSA-N
Compound name
(E)-N-[3-(4-methylpiperazin-1-yl)propoxy]-2-prop-2-enylcyclohexan-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.2467 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.25398 176.8
[M+Na]+ 316.23592 185.7
[M+NH4]+ 311.28052 183.5
[M+K]+ 332.20986 177.7
[M-H]- 292.23942 179.7
[M+Na-2H]- 314.22137 180.4
[M]+ 293.24615 178.4
[M]- 293.24725 178.4
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.