CID 3054619

1h-naphtho(2,1-b)pyran-1-one, 3-(propylamino)-

Structural Information

Molecular Formula

C₁₆H₁₅NO₂

SMILES

CCCNC1=CC(=O)C2=C(O1)C=CC3=CC=CC=C32

InChI

InChI=1S/C16H15NO2/c1-2-9-17-15-10-13(18)16-12-6-4-3-5-11(12)7-8-14(16)19-15/h3-8,10,17H,2,9H2,1H3

InChIKey

ITVDILNCABBNKR-UHFFFAOYSA-N

Compound name

3-(propylamino)benzo[f]chromen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 253.11028 Da
Monoisotopic Mass: 3.9
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]+	254.117556	154.1
[M+Na]+	276.099498	164.6
[M-H]-	252.103004	161.0
[M+NH4]+	271.144103	172.2
[M+K]+	292.073438	160.9
[M+H-H2O]+	236.107540	146.7
[M+HCOO]-	298.108481	178.1
[M+CH3COO]-	312.124131	167.8
[M+Na-2H]-	274.084946	164.9
[M]+	253.10973142	158.6
[M]-	253.11082858	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe