CID 9588356

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

Structural Information

Molecular Formula
C25H39N3O
SMILES
CCCC/C=C/1\CCCC\C1=N/OCCCN2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C25H39N3O/c1-2-3-5-13-24-14-8-9-15-25(24)26-29-21-10-16-27-17-19-28(20-18-27)22-23-11-6-4-7-12-23/h4,6-7,11-13H,2-3,5,8-10,14-22H2,1H3/b24-13+,26-25+
InChIKey
ZZJRUJYCRPUJCF-ZXSYOUNQSA-N
Compound name
(E,2E)-N-[3-(4-benzylpiperazin-1-yl)propoxy]-2-pentylidenecyclohexan-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.30933 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.31661 203.9
[M+Na]+ 420.29855 202.6
[M-H]- 396.30205 208.3
[M+NH4]+ 415.34315 211.4
[M+K]+ 436.27249 196.5
[M+H-H2O]+ 380.30659 190.8
[M+HCOO]- 442.30753 217.4
[M+CH3COO]- 456.32318 226.9
[M+Na-2H]- 418.28400 201.9
[M]+ 397.30878 198.0
[M]- 397.30988 198.0
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.