CID 5486095

Brn 0052087

Structural Information

Molecular Formula
C26H34N2O
SMILES
CN(C)C1=CC=C(C=C1)CCN2CC[C@]34CCCC[C@H]3[C@H]2CC5=C4C=C(C=C5)O
InChI
InChI=1S/C26H34N2O/c1-27(2)21-9-6-19(7-10-21)12-15-28-16-14-26-13-4-3-5-23(26)25(28)17-20-8-11-22(29)18-24(20)26/h6-11,18,23,25,29H,3-5,12-17H2,1-2H3/t23-,25+,26+/m0/s1
InChIKey
YAIARBNHRVQQRT-SKBVVQJISA-N
Compound name
(1R,9R,10R)-17-[2-[4-(dimethylamino)phenyl]ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.26712 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.27440 200.4
[M+Na]+ 413.25634 213.6
[M+NH4]+ 408.30094 211.7
[M+K]+ 429.23028 201.5
[M-H]- 389.25984 207.4
[M+Na-2H]- 411.24179 206.9
[M]+ 390.26657 204.6
[M]- 390.26767 204.6
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.