CID 6446540

2-buten-1-one, 3-amino-1-(2-phenyl-1h-indol-3-yl)-

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]+ 277.133526 165.1
[M+Na]+ 299.115468 172.8
[M-H]- 275.118974 170.1
[M+NH4]+ 294.160073 181.2
[M+K]+ 315.089408 166.2
[M+H-H2O]+ 259.123510 157.3
[M+HCOO]- 321.124451 186.3
[M+CH3COO]- 335.140101 176.2
[M+Na-2H]- 297.100916 167.6
[M]+ 276.12570142 163.1
[M]- 276.12679858 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.