CID 19034

3,4-dihydro-alpha,alpha-diphenyl-beta-methyl-2(1h)-isoquinolinepropanol

Structural Information

Molecular Formula
C25H27NO
SMILES
CC(CN1CCC2=CC=CC=C2C1)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C25H27NO/c1-20(18-26-17-16-21-10-8-9-11-22(21)19-26)25(27,23-12-4-2-5-13-23)24-14-6-3-7-15-24/h2-15,20,27H,16-19H2,1H3
InChIKey
LXGCDEXANHVBTG-UHFFFAOYSA-N
Compound name
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-1,1-diphenylpropan-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 188.9
[M+Na]+ 380.19848 191.5
[M-H]- 356.20198 194.8
[M+NH4]+ 375.24308 199.0
[M+K]+ 396.17242 184.7
[M+H-H2O]+ 340.20652 178.2
[M+HCOO]- 402.20746 202.1
[M+CH3COO]- 416.22311 196.3
[M+Na-2H]- 378.18393 192.9
[M]+ 357.20871 183.8
[M]- 357.20981 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.