CID 6052863

Nsc683833

Structural Information

Molecular Formula
C32H40N2O3
SMILES
C1CCN(CC1)CC2=C(C=CC(=C2)/C=C\3/C(=O)/C(=C/C4=CC(=C(C=C4)O)CN5CCCCC5)/CCC3)O
InChI
InChI=1S/C32H40N2O3/c35-30-12-10-24(20-28(30)22-33-14-3-1-4-15-33)18-26-8-7-9-27(32(26)37)19-25-11-13-31(36)29(21-25)23-34-16-5-2-6-17-34/h10-13,18-21,35-36H,1-9,14-17,22-23H2/b26-18+,27-19+
InChIKey
RQRCECSLBNENFG-BFNWXZRRSA-N
Compound name
(2E,6E)-2,6-bis[[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]methylidene]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.3039 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.31118 229.5
[M+Na]+ 523.29312 227.6
[M-H]- 499.29662 235.8
[M+NH4]+ 518.33772 230.0
[M+K]+ 539.26706 218.3
[M+H-H2O]+ 483.30116 214.9
[M+HCOO]- 545.30210 233.3
[M+CH3COO]- 559.31775 231.0
[M+Na-2H]- 521.27857 220.9
[M]+ 500.30335 215.0
[M]- 500.30445 215.0
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.