CID 379384

Nsc663926

Structural Information

Molecular Formula
C30H32N2O2
SMILES
C1CCN(CC1)C2=C(C3=CC=CC=C3C(=C2)C4=CC(=C(C5=CC=CC=C54)O)N6CCCCC6)O
InChI
InChI=1S/C30H32N2O2/c33-29-23-13-5-3-11-21(23)25(19-27(29)31-15-7-1-8-16-31)26-20-28(32-17-9-2-10-18-32)30(34)24-14-6-4-12-22(24)26/h3-6,11-14,19-20,33-34H,1-2,7-10,15-18H2
InChIKey
PBWRKFLYAGYRHA-UHFFFAOYSA-N
Compound name
4-(4-hydroxy-3-piperidin-1-ylnaphthalen-1-yl)-2-piperidin-1-ylnaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.24637 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.25365 213.3
[M+Na]+ 475.23559 216.6
[M-H]- 451.23909 220.2
[M+NH4]+ 470.28019 218.3
[M+K]+ 491.20953 207.4
[M+H-H2O]+ 435.24363 199.0
[M+HCOO]- 497.24457 220.6
[M+CH3COO]- 511.26022 217.9
[M+Na-2H]- 473.22104 212.9
[M]+ 452.24582 204.5
[M]- 452.24692 204.5
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.