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 167.3
[M+Na]+ 315.11042 175.3
[M-H]- 291.11392 172.8
[M+NH4]+ 310.15502 183.2
[M+K]+ 331.08436 169.1
[M+H-H2O]+ 275.11846 159.1
[M+HCOO]- 337.11940 190.4
[M+CH3COO]- 351.13505 178.7
[M+Na-2H]- 313.09587 172.2
[M]+ 292.12065 168.2
[M]- 292.12175 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

No patent data available for this compound.