CID 3041977

58893-13-3

Structural Information

Molecular Formula
C26H41N3O
SMILES
CCC(C)C1CC2C3C4(CC(C1C4O)N2CCN(CC)CC)C5=CC=CC=C5N3C
InChI
InChI=1S/C26H41N3O/c1-6-17(4)18-15-21-24-26(19-11-9-10-12-20(19)27(24)5)16-22(23(18)25(26)30)29(21)14-13-28(7-2)8-3/h9-12,17-18,21-25,30H,6-8,13-16H2,1-5H3
InChIKey
DBZUPQBBYWKFDB-UHFFFAOYSA-N
Compound name
14-butan-2-yl-16-[2-(diethylamino)ethyl]-3-methyl-3,16-diazapentacyclo[10.3.1.110,13.02,10.04,9]heptadeca-4,6,8-trien-17-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.32495 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.33223 206.2
[M+Na]+ 434.31417 214.0
[M+NH4]+ 429.35877 216.2
[M+K]+ 450.28811 208.1
[M-H]- 410.31767 206.7
[M+Na-2H]- 432.29962 202.6
[M]+ 411.32440 207.4
[M]- 411.32550 207.4
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.