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]+ 253.133546 158.1
[M+Na]+ 275.115488 165.1
[M-H]- 251.118994 163.9
[M+NH4]+ 270.160093 175.9
[M+K]+ 291.089428 160.3
[M+H-H2O]+ 235.123530 150.1
[M+HCOO]- 297.124471 179.5
[M+CH3COO]- 311.140121 169.8
[M+Na-2H]- 273.100936 161.3
[M]+ 252.12572142 155.6
[M]- 252.12681858 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.