CID 135770281

Brn 4487899

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]+ 253.13355 156.6
[M+Na]+ 275.11549 163.0
[M-H]- 251.11899 162.2
[M+NH4]+ 270.16009 172.7
[M+K]+ 291.08943 158.0
[M+H-H2O]+ 235.12353 147.7
[M+HCOO]- 297.12447 177.4
[M+CH3COO]- 311.14012 167.9
[M+Na-2H]- 273.10094 163.9
[M]+ 252.12572 153.4
[M]- 252.12682 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.