CID 230491

1-(1-isoquinolinyl)-1-phenylethanol

Structural Information

Molecular Formula
C17H15NO
SMILES
CC(C1=CC=CC=C1)(C2=NC=CC3=CC=CC=C32)O
InChI
InChI=1S/C17H15NO/c1-17(19,14-8-3-2-4-9-14)16-15-10-6-5-7-13(15)11-12-18-16/h2-12,19H,1H3
InChIKey
IOKVUHVEJQSUIE-UHFFFAOYSA-N
Compound name
1-isoquinolin-1-yl-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.11537 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12265 157.5
[M+Na]+ 272.10459 165.1
[M-H]- 248.10809 162.3
[M+NH4]+ 267.14919 173.4
[M+K]+ 288.07853 159.7
[M+H-H2O]+ 232.11263 149.5
[M+HCOO]- 294.11357 176.4
[M+CH3COO]- 308.12922 169.1
[M+Na-2H]- 270.09004 166.7
[M]+ 249.11482 156.2
[M]- 249.11592 156.2
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.