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 191.9
[M+Na]+ 399.24068 193.6
[M-H]- 375.24418 195.8
[M+NH4]+ 394.28528 205.0
[M+K]+ 415.21462 186.1
[M+H-H2O]+ 359.24872 179.8
[M+HCOO]- 421.24966 201.7
[M+CH3COO]- 435.26531 197.9
[M+Na-2H]- 397.22613 195.3
[M]+ 376.25091 183.7
[M]- 376.25201 183.7
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.