CID 3047875

63868-48-4

Structural Information

Molecular Formula
C25H32NO
SMILES
C[N+]1(CCC23CCCC[C@H]2C1CC4=C3C=C(C=C4)O)CCC5=CC=CC=C5
InChI
InChI=1S/C25H31NO/c1-26(15-12-19-7-3-2-4-8-19)16-14-25-13-6-5-9-22(25)24(26)17-20-10-11-21(27)18-23(20)25/h2-4,7-8,10-11,18,22,24H,5-6,9,12-17H2,1H3/p+1/t22-,24?,25?,26?/m0/s1
InChIKey
FJJQDUKQMLHGHQ-CIOZQPGNSA-O
Compound name
(10R)-17-methyl-17-(2-phenylethyl)-17-azoniatetracyclo[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

362.24838 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.25566 191.9
[M+Na]+ 385.23760 208.2
[M+NH4]+ 380.28220 206.4
[M+K]+ 401.21154 194.0
[M-H]- 361.24110 200.2
[M+Na-2H]- 383.22305 201.3
[M]+ 362.24783 197.6
[M]- 362.24893 197.6
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.