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]+ 254.117556 157.0
[M+Na]+ 276.099498 163.4
[M-H]- 252.103004 161.4
[M+NH4]+ 271.144103 172.6
[M+K]+ 292.073438 158.7
[M+H-H2O]+ 236.107540 148.7
[M+HCOO]- 298.108481 174.4
[M+CH3COO]- 312.124131 167.9
[M+Na-2H]- 274.084946 162.1
[M]+ 253.10973142 153.4
[M]- 253.11082858 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.