CID 16789379

2-(4-aminophenyl)-1-(2,3-dihydro-1h-indol-1-yl)ethan-1-one

Structural Information

Molecular Formula
C16H16N2O
SMILES
C1CN(C2=CC=CC=C21)C(=O)CC3=CC=C(C=C3)N
InChI
InChI=1S/C16H16N2O/c17-14-7-5-12(6-8-14)11-16(19)18-10-9-13-3-1-2-4-15(13)18/h1-8H,9-11,17H2
InChIKey
IGTFWJOHKLVUKX-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)-1-(2,3-dihydroindol-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12627 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.13355 158.1
[M+Na]+ 275.11549 165.1
[M-H]- 251.11899 163.9
[M+NH4]+ 270.16009 175.9
[M+K]+ 291.08943 160.3
[M+H-H2O]+ 235.12353 150.1
[M+HCOO]- 297.12447 179.5
[M+CH3COO]- 311.14012 169.8
[M+Na-2H]- 273.10094 161.3
[M]+ 252.12572 155.6
[M]- 252.12682 155.6
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.