CID 3080038

Brn 4259142

Structural Information

Molecular Formula

C₁₇H₁₅NO₂

SMILES

CC1(CC2=C(C=CC(=O)O2)C3=C1C4=CC=CC=C4N3)C

InChI

InChI=1S/C17H15NO2/c1-17(2)9-13-11(7-8-14(19)20-13)16-15(17)10-5-3-4-6-12(10)18-16/h3-8,18H,9H2,1-2H3

InChIKey

RCLSWBZKCNXMMT-UHFFFAOYSA-N

Compound name

6,6-dimethyl-5,11-dihydropyrano[3,2-a]carbazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 265.1103 Da
Monoisotopic Mass: 3.3
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]+	266.117576	158.4
[M+Na]+	288.099518	171.2
[M-H]-	264.103024	164.2
[M+NH4]+	283.144123	179.3
[M+K]+	304.073458	165.8
[M+H-H2O]+	248.107560	151.5
[M+HCOO]-	310.108501	177.2
[M+CH3COO]-	324.124151	171.8
[M+Na-2H]-	286.084966	166.7
[M]+	265.10975142	161.5
[M]-	265.11084858	161.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.