CID 6602233

63868-17-7

Structural Information

Molecular Formula
C25H32N2O
SMILES
C1CC[C@@]23CCN([C@@H]([C@@H]2C1)CC4=C3C=C(C=C4)O)CCCNC5=CC=CC=C5
InChI
InChI=1S/C25H32N2O/c28-21-11-10-19-17-24-22-9-4-5-12-25(22,23(19)18-21)13-16-27(24)15-6-14-26-20-7-2-1-3-8-20/h1-3,7-8,10-11,18,22,24,26,28H,4-6,9,12-17H2/t22-,24+,25+/m0/s1
InChIKey
XBNOMRVLAQTRLP-ICDZXHCJSA-N
Compound name
(1R,9R,10R)-17-(3-anilinopropyl)-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

376.25146 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.25874 196.8
[M+Na]+ 399.24068 209.6
[M+NH4]+ 394.28528 208.0
[M+K]+ 415.21462 197.1
[M-H]- 375.24418 203.5
[M+Na-2H]- 397.22613 203.4
[M]+ 376.25091 200.7
[M]- 376.25201 200.7
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.