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]+ 291.11281 169.2
[M+Na]+ 313.09475 180.4
[M-H]- 289.09825 173.6
[M+NH4]+ 308.13935 182.4
[M+K]+ 329.06869 172.9
[M+H-H2O]+ 273.10279 153.7
[M+HCOO]- 335.10373 187.1
[M+CH3COO]- 349.11938 179.2
[M+Na-2H]- 311.08020 174.9
[M]+ 290.10498 166.8
[M]- 290.10608 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.