CID 173337

Carbazomycin a

Structural Information

Molecular Formula

C₁₆H₁₇NO₂

SMILES

CC1=C(C(=C(C2=C1NC3=CC=CC=C32)OC)OC)C

InChI

InChI=1S/C16H17NO2/c1-9-10(2)15(18-3)16(19-4)13-11-7-5-6-8-12(11)17-14(9)13/h5-8,17H,1-4H3

InChIKey

CABZEVNLYSXBGW-UHFFFAOYSA-N

Compound name

3,4-dimethoxy-1,2-dimethyl-9H-carbazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 11
Patents: 255.12593 Da
Monoisotopic Mass: 4.1
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]+	256.13321	157.5
[M+Na]+	278.11515	173.1
[M+NH4]+	273.15975	166.7
[M+K]+	294.08909	166.9
[M-H]-	254.11865	160.3
[M+Na-2H]-	276.10060	163.2
[M]+	255.12538	160.7
[M]-	255.12648	160.7

Literature stripe

literature stripe

Patent stripe

patents stripe