CID 135770281

Phenol, 2-(((3,4-dihydro-2(1h)-isoquinolinyl)imino)methyl)-

Structural Information

Molecular Formula
C16H16N2O
SMILES
C1CN(CC2=CC=CC=C21)/N=C/C3=CC=CC=C3O
InChI
InChI=1S/C16H16N2O/c19-16-8-4-3-6-14(16)11-17-18-10-9-13-5-1-2-7-15(13)12-18/h1-8,11,19H,9-10,12H2/b17-11+
InChIKey
GORJFUNDQFUZND-GZTJUZNOSA-N
Compound name
2-[(E)-3,4-dihydro-1H-isoquinolin-2-yliminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12627 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.133546 156.6
[M+Na]+ 275.115488 163.0
[M-H]- 251.118994 162.2
[M+NH4]+ 270.160093 172.7
[M+K]+ 291.089428 158.0
[M+H-H2O]+ 235.123530 147.7
[M+HCOO]- 297.124471 177.4
[M+CH3COO]- 311.140121 167.9
[M+Na-2H]- 273.100936 163.9
[M]+ 252.12572142 153.4
[M]- 252.12681858 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.