CID 28393863

3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenol

Structural Information

Molecular Formula
C16H15NO2
SMILES
C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=CC=C3)O
InChI
InChI=1S/C16H15NO2/c18-15-7-3-6-13(10-15)16(19)17-9-8-12-4-1-2-5-14(12)11-17/h1-7,10,18H,8-9,11H2
InChIKey
BFXJXSCXRCMOGV-UHFFFAOYSA-N
Compound name
3,4-dihydro-1H-isoquinolin-2-yl-(3-hydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.11028 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11756 157.0
[M+Na]+ 276.09950 163.4
[M-H]- 252.10300 161.4
[M+NH4]+ 271.14410 172.6
[M+K]+ 292.07344 158.7
[M+H-H2O]+ 236.10754 148.7
[M+HCOO]- 298.10848 174.4
[M+CH3COO]- 312.12413 167.9
[M+Na-2H]- 274.08495 162.1
[M]+ 253.10973 153.4
[M]- 253.11083 153.4
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.