CID 3073588

N-methylcarbazomycin a

Structural Information

Molecular Formula

C₁₇H₁₉NO₂

SMILES

CC1=C(C(=C(C2=C1N(C3=CC=CC=C32)C)OC)OC)C

InChI

InChI=1S/C17H19NO2/c1-10-11(2)16(19-4)17(20-5)14-12-8-6-7-9-13(12)18(3)15(10)14/h6-9H,1-5H3

InChIKey

UAJCNJZXIVBDSU-UHFFFAOYSA-N

Compound name

3,4-dimethoxy-1,2,9-trimethylcarbazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.14157 Da
Monoisotopic Mass: 4.0
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]+	270.148846	162.1
[M+Na]+	292.130788	175.1
[M-H]-	268.134294	168.0
[M+NH4]+	287.175393	182.7
[M+K]+	308.104728	170.8
[M+H-H2O]+	252.138830	155.6
[M+HCOO]-	314.139771	184.8
[M+CH3COO]-	328.155421	203.8
[M+Na-2H]-	290.116236	166.2
[M]+	269.14102142	170.3
[M]-	269.14211858	170.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.