CID 16727958

Schembl17817042

Structural Information

Molecular Formula

C₁₈H₁₃NO₃

SMILES

CC1=CC2=C(C(=C1)OC)NC3=C2C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C18H13NO3/c1-9-7-12-14-16(19-15(12)13(8-9)22-2)18(21)11-6-4-3-5-10(11)17(14)20/h3-8,19H,1-2H3

InChIKey

WYUQZOFYXNPURN-UHFFFAOYSA-N

Compound name

4-methoxy-2-methyl-5H-benzo[b]carbazole-6,11-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 291.08954 Da
Monoisotopic Mass: 3.7
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]+	292.09682	164.9
[M+Na]+	314.07876	177.5
[M-H]-	290.08226	170.1
[M+NH4]+	309.12336	184.0
[M+K]+	330.05270	171.1
[M+H-H2O]+	274.08680	158.0
[M+HCOO]-	336.08774	184.4
[M+CH3COO]-	350.10339	177.7
[M+Na-2H]-	312.06421	169.9
[M]+	291.08899	168.8
[M]-	291.09009	168.8

Literature stripe

literature stripe

Patent stripe

patents stripe