CID 622372

3,4-dihydroisoquinoline, 1-[3-hydroxybenzyl]-6-methoxy-

Structural Information

Molecular Formula
C17H17NO2
SMILES
COC1=CC2=C(C=C1)C(=NCC2)CC3=CC(=CC=C3)O
InChI
InChI=1S/C17H17NO2/c1-20-15-5-6-16-13(11-15)7-8-18-17(16)10-12-3-2-4-14(19)9-12/h2-6,9,11,19H,7-8,10H2,1H3
InChIKey
CXTQQQQMXWEYNP-UHFFFAOYSA-N
Compound name
3-[(6-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.12592 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.133196 161.5
[M+Na]+ 290.115138 169.3
[M-H]- 266.118644 166.3
[M+NH4]+ 285.159743 176.9
[M+K]+ 306.089078 164.3
[M+H-H2O]+ 250.123180 152.9
[M+HCOO]- 312.124121 180.7
[M+CH3COO]- 326.139771 172.8
[M+Na-2H]- 288.100586 167.5
[M]+ 267.12537142 161.4
[M]- 267.12646858 161.4
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.