CID 6453930

16625-72-2

Structural Information

Molecular Formula

C₁₇H₁₇NO₄

SMILES

CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)O)O)O)O

InChI

InChI=1S/C17H17NO4/c1-18-3-2-8-5-14(21)17(22)16-10-7-13(20)12(19)6-9(10)4-11(18)15(8)16/h5-7,11,19-22H,2-4H2,1H3

InChIKey

RMMKCAKVLLJONG-UHFFFAOYSA-N

Compound name

6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,2,9,10-tetrol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 299.11575 Da
Monoisotopic Mass: 1.6
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]+	300.123026	168.7
[M+Na]+	322.104968	177.4
[M-H]-	298.108474	168.2
[M+NH4]+	317.149573	183.8
[M+K]+	338.078908	171.8
[M+H-H2O]+	282.113010	161.8
[M+HCOO]-	344.113951	178.4
[M+CH3COO]-	358.129601	178.0
[M+Na-2H]-	320.090416	172.9
[M]+	299.11520142	167.1
[M]-	299.11629858	167.1

Literature stripe

literature stripe

Patent stripe

patents stripe