CID 371220

150982-80-2

Structural Information

Molecular Formula
C18H14N2O2
SMILES
COC1=C(C=C2C(=C1)C=CN=C2C#N)OCC3=CC=CC=C3
InChI
InChI=1S/C18H14N2O2/c1-21-17-9-14-7-8-20-16(11-19)15(14)10-18(17)22-12-13-5-3-2-4-6-13/h2-10H,12H2,1H3
InChIKey
OSBXRKKQXZDJOA-UHFFFAOYSA-N
Compound name
6-methoxy-7-phenylmethoxyisoquinoline-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.10553 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.112806 169.2
[M+Na]+ 313.094748 180.4
[M-H]- 289.098254 173.6
[M+NH4]+ 308.139353 182.4
[M+K]+ 329.068688 172.9
[M+H-H2O]+ 273.102790 153.7
[M+HCOO]- 335.103731 187.1
[M+CH3COO]- 349.119381 179.2
[M+Na-2H]- 311.080196 174.9
[M]+ 290.10498142 166.8
[M]- 290.10607858 166.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.