CID 9588359

2-hexylidenecyclohexanone o-(3-(4-methyl-1-piperazinyl)propyl)oxime

Structural Information

Molecular Formula
C20H37N3O
SMILES
CCCCC/C=C/1\CCCC\C1=N/OCCCN2CCN(CC2)C
InChI
InChI=1S/C20H37N3O/c1-3-4-5-6-10-19-11-7-8-12-20(19)21-24-18-9-13-23-16-14-22(2)15-17-23/h10H,3-9,11-18H2,1-2H3/b19-10+,21-20+
InChIKey
BNYKPVPCKYETQI-ZQFMUDRWSA-N
Compound name
(E,2E)-2-hexylidene-N-[3-(4-methylpiperazin-1-yl)propoxy]cyclohexan-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.29367 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.30095 189.2
[M+Na]+ 358.28289 189.0
[M-H]- 334.28639 191.1
[M+NH4]+ 353.32749 200.0
[M+K]+ 374.25683 184.8
[M+H-H2O]+ 318.29093 178.2
[M+HCOO]- 380.29187 203.2
[M+CH3COO]- 394.30752 216.4
[M+Na-2H]- 356.26834 187.4
[M]+ 335.29312 184.5
[M]- 335.29422 184.5
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.