CID 9588352

Cyclohexanone, 2-butylidene-, o-(3-(4-(phenylmethyl)-1-piperazinyl)propyl)oxime, (e)-2-butenedioate (1:2)

Structural Information

Molecular Formula
C24H37N3O
SMILES
CCC/C=C/1\CCCC\C1=N/OCCCN2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C24H37N3O/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/h4-6,10-12H,2-3,7-9,13-21H2,1H3/b23-12+,25-24+
InChIKey
UBFBGLHWIMCTEG-BYGYOCHOSA-N
Compound name
(E,2E)-N-[3-(4-benzylpiperazin-1-yl)propoxy]-2-butylidenecyclohexan-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.29367 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.30095 199.7
[M+Na]+ 406.28289 198.9
[M-H]- 382.28639 204.3
[M+NH4]+ 401.32749 207.8
[M+K]+ 422.25683 193.0
[M+H-H2O]+ 366.29093 186.8
[M+HCOO]- 428.29187 213.6
[M+CH3COO]- 442.30752 224.0
[M+Na-2H]- 404.26834 198.2
[M]+ 383.29312 193.5
[M]- 383.29422 193.5
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.