CID 6604934

4-hydroxy-3,3-dimethyl-2h-benzo[g]indole-2,5(3h)-dione

Structural Information

Molecular Formula

C₁₄H₁₁NO₃

SMILES

CC1(C2=C(C3=CC=CC=C3C(=O)C2=O)NC1=O)C

InChI

InChI=1S/C14H11NO3/c1-14(2)9-10(15-13(14)18)7-5-3-4-6-8(7)11(16)12(9)17/h3-6H,1-2H3,(H,15,18)

InChIKey

LLPBUXODFQZPFH-UHFFFAOYSA-N

Compound name

3,3-dimethyl-1H-benzo[g]indole-2,4,5-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 107
Patents: 241.0739 Da
Monoisotopic Mass: 1.0
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]+	242.08118	150.5
[M+Na]+	264.06312	162.3
[M-H]-	240.06662	154.4
[M+NH4]+	259.10772	172.7
[M+K]+	280.03706	157.2
[M+H-H2O]+	224.07116	145.2
[M+HCOO]-	286.07210	169.2
[M+CH3COO]-	300.08775	191.5
[M+Na-2H]-	262.04857	155.1
[M]+	241.07335	150.9
[M]-	241.07445	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe