CID 942836

27058-18-0

Structural Information

Molecular Formula
C20H16N2O
SMILES
C1=CC=C(C=C1)C(=O)N2C=CC(C=C2)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C20H16N2O/c23-20(16-6-2-1-3-7-16)22-12-10-15(11-13-22)18-14-21-19-9-5-4-8-17(18)19/h1-15,21H
InChIKey
WBAGVPNSMZETHA-UHFFFAOYSA-N
Compound name
[4-(1H-indol-3-yl)-4H-pyridin-1-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

300.12625 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.133526 170.2
[M+Na]+ 323.115468 178.2
[M-H]- 299.118974 177.1
[M+NH4]+ 318.160073 184.0
[M+K]+ 339.089408 170.9
[M+H-H2O]+ 283.123510 160.4
[M+HCOO]- 345.124451 189.6
[M+CH3COO]- 359.140101 180.9
[M+Na-2H]- 321.100916 174.5
[M]+ 300.12570142 168.2
[M]- 300.12679858 168.2
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

patents stripe