CID 20016

4082-44-4

Structural Information

Molecular Formula
C25H27NO
SMILES
CC(CC(C1=CC=CC=C1)(C2=CC=CC=C2)O)N3CCC4=CC=CC=C4C3
InChI
InChI=1S/C25H27NO/c1-20(26-17-16-21-10-8-9-11-22(21)19-26)18-25(27,23-12-4-2-5-13-23)24-14-6-3-7-15-24/h2-15,20,27H,16-19H2,1H3
InChIKey
YUPPHAIGLYVSSI-UHFFFAOYSA-N
Compound name
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1,1-diphenylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.20926 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.21654 190.8
[M+Na]+ 380.19848 206.1
[M+NH4]+ 375.24308 199.9
[M+K]+ 396.17242 196.4
[M-H]- 356.20198 197.7
[M+Na-2H]- 378.18393 201.3
[M]+ 357.20871 195.3
[M]- 357.20981 195.3
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.