CID 5919990

2-(2-(1h-indol-3-yl)vinyl)quinoline

Structural Information

Molecular Formula
C19H14N2
SMILES
C1=CC=C2C(=C1)C=CC(=N2)/C=C/C3=CNC4=CC=CC=C43
InChI
InChI=1S/C19H14N2/c1-3-7-18-14(5-1)9-11-16(21-18)12-10-15-13-20-19-8-4-2-6-17(15)19/h1-13,20H/b12-10+
InChIKey
XBSNGDJJHAYDLC-ZRDIBKRKSA-N
Compound name
2-[(E)-2-(1H-indol-3-yl)ethenyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

270.1157 Da
Monoisotopic Mass

4.6
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

patents stripe