CID 5486082

63732-44-5

Structural Information

Molecular Formula
C23H27NO
SMILES
C1CC[C@@]23CCN([C@@H]([C@@H]2C1)CC4=C3C=C(C=C4)O)CC5=CC=CC=C5
InChI
InChI=1S/C23H27NO/c25-19-10-9-18-14-22-20-8-4-5-11-23(20,21(18)15-19)12-13-24(22)16-17-6-2-1-3-7-17/h1-3,6-7,9-10,15,20,22,25H,4-5,8,11-14,16H2/t20-,22+,23+/m0/s1
InChIKey
RWLNQUZNBYIVJE-MDNUFGMLSA-N
Compound name
(1R,9R,10R)-17-benzyl-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

1
Patents

333.20926 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.216536 182.6
[M+Na]+ 356.198478 186.1
[M-H]- 332.201984 187.1
[M+NH4]+ 351.243083 197.8
[M+K]+ 372.172418 178.8
[M+H-H2O]+ 316.206520 170.9
[M+HCOO]- 378.207461 192.0
[M+CH3COO]- 392.223111 189.9
[M+Na-2H]- 354.183926 186.0
[M]+ 333.20871142 174.2
[M]- 333.20980858 174.2
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.