CID 9588354

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

Structural Information

Molecular Formula
C19H35N3O
SMILES
CCCC/C=C/1\CCCC\C1=N/OCCCN2CCN(CC2)C
InChI
InChI=1S/C19H35N3O/c1-3-4-5-9-18-10-6-7-11-19(18)20-23-17-8-12-22-15-13-21(2)14-16-22/h9H,3-8,10-17H2,1-2H3/b18-9+,20-19+
InChIKey
VLHTVJHZUFMTHH-HWEFLWFZSA-N
Compound name
(E,2E)-N-[3-(4-methylpiperazin-1-yl)propoxy]-2-pentylidenecyclohexan-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.278 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.28528 185.0
[M+Na]+ 344.26722 185.2
[M-H]- 320.27072 187.1
[M+NH4]+ 339.31182 196.4
[M+K]+ 360.24116 181.3
[M+H-H2O]+ 304.27526 174.2
[M+HCOO]- 366.27620 199.3
[M+CH3COO]- 380.29185 213.4
[M+Na-2H]- 342.25267 183.7
[M]+ 321.27745 179.9
[M]- 321.27855 179.9
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.