CID 213804

Chembl4581864

Structural Information

Molecular Formula
C26H39NO
SMILES
CCCCCN(CCCCC)CC(C1=CC2=C(CCCC2)C3=CC=CC=C31)O
InChI
InChI=1S/C26H39NO/c1-3-5-11-17-27(18-12-6-4-2)20-26(28)25-19-21-13-7-8-14-22(21)23-15-9-10-16-24(23)25/h9-10,15-16,19,26,28H,3-8,11-14,17-18,20H2,1-2H3
InChIKey
HEXZNDLJTGDXON-UHFFFAOYSA-N
Compound name
2-(dipentylamino)-1-(1,2,3,4-tetrahydrophenanthren-9-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.30316 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.31044 200.3
[M+Na]+ 404.29238 200.9
[M-H]- 380.29588 202.6
[M+NH4]+ 399.33698 213.3
[M+K]+ 420.26632 195.4
[M+H-H2O]+ 364.30042 191.1
[M+HCOO]- 426.30136 214.6
[M+CH3COO]- 440.31701 228.7
[M+Na-2H]- 402.27783 200.0
[M]+ 381.30261 200.5
[M]- 381.30371 200.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.