CID 25407

10585-90-7

Structural Information

Molecular Formula

C₁₇H₁₉NO

SMILES

C1C(NC2=CC=CC=C21)C(CC3=CC=CC=C3)CO

InChI

InChI=1S/C17H19NO/c19-12-15(10-13-6-2-1-3-7-13)17-11-14-8-4-5-9-16(14)18-17/h1-9,15,17-19H,10-12H2

InChIKey

SNEACLOTUAXVQM-UHFFFAOYSA-N

Compound name

2-(2,3-dihydro-1H-indol-2-yl)-3-phenylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 253.14667 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	254.153946	159.8
[M+Na]+	276.135888	165.1
[M-H]-	252.139394	162.7
[M+NH4]+	271.180493	176.5
[M+K]+	292.109828	159.2
[M+H-H2O]+	236.143930	152.2
[M+HCOO]-	298.144871	177.2
[M+CH3COO]-	312.160521	170.1
[M+Na-2H]-	274.121336	162.8
[M]+	253.14612142	156.0
[M]-	253.14721858	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.