CID 6446540

Brn 0410846

Structural Information

Molecular Formula
C18H16N2O
SMILES
C/C(=C/C(=O)C1=C(NC2=CC=CC=C21)C3=CC=CC=C3)/N
InChI
InChI=1S/C18H16N2O/c1-12(19)11-16(21)17-14-9-5-6-10-15(14)20-18(17)13-7-3-2-4-8-13/h2-11,20H,19H2,1H3/b12-11-
InChIKey
UIOXYFATQNTMAT-QXMHVHEDSA-N
Compound name
(Z)-3-amino-1-(2-phenyl-1H-indol-3-yl)but-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.12625 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13353 165.3
[M+Na]+ 299.11547 178.5
[M+NH4]+ 294.16007 173.1
[M+K]+ 315.08941 173.0
[M-H]- 275.11897 169.1
[M+Na-2H]- 297.10092 172.7
[M]+ 276.12570 168.1
[M]- 276.12680 168.1
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.