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 165.1
[M+Na]+ 299.11547 172.8
[M-H]- 275.11897 170.1
[M+NH4]+ 294.16007 181.2
[M+K]+ 315.08941 166.2
[M+H-H2O]+ 259.12351 157.3
[M+HCOO]- 321.12445 186.3
[M+CH3COO]- 335.14010 176.2
[M+Na-2H]- 297.10092 167.6
[M]+ 276.12570 163.1
[M]- 276.12680 163.1
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.