CID 51335

Brn 1645607

Structural Information

Molecular Formula

C₁₆H₁₅NO₂

SMILES

CC(C)NC1=CC(=O)C2=C(O1)C=CC3=CC=CC=C32

InChI

InChI=1S/C16H15NO2/c1-10(2)17-15-9-13(18)16-12-6-4-3-5-11(12)7-8-14(16)19-15/h3-10,17H,1-2H3

InChIKey

VFXZMQLWZKIUDZ-UHFFFAOYSA-N

Compound name

3-(propan-2-ylamino)benzo[f]chromen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 253.11028 Da
Monoisotopic Mass: 3.8
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]+	254.11756	154.7
[M+Na]+	276.09950	164.8
[M-H]-	252.10300	161.6
[M+NH4]+	271.14410	172.7
[M+K]+	292.07344	161.6
[M+H-H2O]+	236.10754	147.4
[M+HCOO]-	298.10848	177.6
[M+CH3COO]-	312.12413	168.1
[M+Na-2H]-	274.08495	164.2
[M]+	253.10973	158.6
[M]-	253.11083	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe