CID 5937213

Nsc164880

Structural Information

Molecular Formula
C19H17NO2
SMILES
COC1=CC=CC(=C1OC)/C=C/C2=NC=CC3=CC=CC=C32
InChI
InChI=1S/C19H17NO2/c1-21-18-9-5-7-15(19(18)22-2)10-11-17-16-8-4-3-6-14(16)12-13-20-17/h3-13H,1-2H3/b11-10+
InChIKey
QSJOMUILXIIUFZ-ZHACJKMWSA-N
Compound name
1-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.12592 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.13320 168.7
[M+Na]+ 314.11514 177.5
[M-H]- 290.11864 175.0
[M+NH4]+ 309.15974 183.9
[M+K]+ 330.08908 172.0
[M+H-H2O]+ 274.12318 159.3
[M+HCOO]- 336.12412 190.3
[M+CH3COO]- 350.13977 180.4
[M+Na-2H]- 312.10059 174.9
[M]+ 291.12537 171.7
[M]- 291.12647 171.7
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.