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]+ 334.21654 182.6
[M+Na]+ 356.19848 186.1
[M-H]- 332.20198 187.1
[M+NH4]+ 351.24308 197.8
[M+K]+ 372.17242 178.8
[M+H-H2O]+ 316.20652 170.9
[M+HCOO]- 378.20746 192.0
[M+CH3COO]- 392.22311 189.9
[M+Na-2H]- 354.18393 186.0
[M]+ 333.20871 174.2
[M]- 333.20981 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.