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]+ 358.216536 188.9
[M+Na]+ 380.198478 191.5
[M-H]- 356.201984 194.8
[M+NH4]+ 375.243083 199.0
[M+K]+ 396.172418 184.7
[M+H-H2O]+ 340.206520 178.2
[M+HCOO]- 402.207461 202.1
[M+CH3COO]- 416.223111 196.3
[M+Na-2H]- 378.183926 192.9
[M]+ 357.20871142 183.8
[M]- 357.20980858 183.8
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.