CID 6447081

Brn 0417985

Structural Information

Molecular Formula
C18H16N2O2
SMILES
COC1=CC=C(C=C1)NC(=O)/C=C/C2=CNC3=CC=CC=C32
InChI
InChI=1S/C18H16N2O2/c1-22-15-9-7-14(8-10-15)20-18(21)11-6-13-12-19-17-5-3-2-4-16(13)17/h2-12,19H,1H3,(H,20,21)/b11-6+
InChIKey
XZWUJQDWNAHSLO-IZZDOVSWSA-N
Compound name
(E)-3-(1H-indol-3-yl)-N-(4-methoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1212 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.12848 168.7
[M+Na]+ 315.11042 182.2
[M+NH4]+ 310.15502 176.2
[M+K]+ 331.08436 176.1
[M-H]- 291.11392 172.4
[M+Na-2H]- 313.09587 176.4
[M]+ 292.12065 171.6
[M]- 292.12175 171.6
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.