CID 5940197

Nsc-77833

Structural Information

Molecular Formula
C19H14N2
SMILES
C1=CC=C2C(=C1)C=CN=C2/C=C/C3=CNC4=CC=CC=C43
InChI
InChI=1S/C19H14N2/c1-2-6-16-14(5-1)11-12-20-19(16)10-9-15-13-21-18-8-4-3-7-17(15)18/h1-13,21H/b10-9+
InChIKey
GXWLLYOLXFYXAT-MDZDMXLPSA-N
Compound name
1-[(E)-2-(1H-indol-3-yl)ethenyl]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.1157 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.12298 162.5
[M+Na]+ 293.10492 172.5
[M-H]- 269.10842 167.4
[M+NH4]+ 288.14952 179.1
[M+K]+ 309.07886 163.9
[M+H-H2O]+ 253.11296 153.4
[M+HCOO]- 315.11390 182.9
[M+CH3COO]- 329.12955 174.1
[M+Na-2H]- 291.09037 169.9
[M]+ 270.11515 162.1
[M]- 270.11625 162.1
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.