CID 9588350

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

Structural Information

Molecular Formula
C18H33N3O
SMILES
CCC/C=C/1\CCCC\C1=N/OCCCN2CCN(CC2)C
InChI
InChI=1S/C18H33N3O/c1-3-4-8-17-9-5-6-10-18(17)19-22-16-7-11-21-14-12-20(2)13-15-21/h8H,3-7,9-16H2,1-2H3/b17-8+,19-18+
InChIKey
AZDLJCLRHMEGRC-BTOTXDRHSA-N
Compound name
(E,2E)-2-butylidene-N-[3-(4-methylpiperazin-1-yl)propoxy]cyclohexan-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.26236 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.26964 180.7
[M+Na]+ 330.25158 181.4
[M-H]- 306.25508 183.0
[M+NH4]+ 325.29618 192.7
[M+K]+ 346.22552 177.7
[M+H-H2O]+ 290.25962 170.1
[M+HCOO]- 352.26056 195.4
[M+CH3COO]- 366.27621 210.4
[M+Na-2H]- 328.23703 179.9
[M]+ 307.26181 175.3
[M]- 307.26291 175.3
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.