CID 3044964

1h-naphtho(2,1-b)pyran-1-one, 3-(dimethylamino)-8,9-dimethyl-

Structural Information

Molecular Formula

C₁₇H₁₇NO₂

SMILES

CC1=CC2=C(C=C1C)C3=C(C=C2)OC(=CC3=O)N(C)C

InChI

InChI=1S/C17H17NO2/c1-10-7-12-5-6-15-17(13(12)8-11(10)2)14(19)9-16(20-15)18(3)4/h5-9H,1-4H3

InChIKey

BJXBVYTYJRFUJM-UHFFFAOYSA-N

Compound name

3-(dimethylamino)-8,9-dimethylbenzo[f]chromen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 267.12592 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]+	268.133196	159.5
[M+Na]+	290.115138	171.4
[M-H]-	266.118644	168.5
[M+NH4]+	285.159743	178.2
[M+K]+	306.089078	169.0
[M+H-H2O]+	250.123180	152.1
[M+HCOO]-	312.124121	183.5
[M+CH3COO]-	326.139771	207.9
[M+Na-2H]-	288.100586	167.4
[M]+	267.12537142	166.3
[M]-	267.12646858	166.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe