CID 3071880

3-o-methylcarazostatin

Structural Information

Molecular Formula

C₂₁H₂₇NO

SMILES

CCCCCCCC1=C2C(=CC(=C1C)OC)C3=CC=CC=C3N2

InChI

InChI=1S/C21H27NO/c1-4-5-6-7-8-11-16-15(2)20(23-3)14-18-17-12-9-10-13-19(17)22-21(16)18/h9-10,12-14,22H,4-8,11H2,1-3H3

InChIKey

ABYVCTWTYWFOAJ-UHFFFAOYSA-N

Compound name

1-heptyl-3-methoxy-2-methyl-9H-carbazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 309.20926 Da
Monoisotopic Mass: 7.2
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]+	310.216536	178.3
[M+Na]+	332.198478	187.3
[M-H]-	308.201984	181.1
[M+NH4]+	327.243083	195.9
[M+K]+	348.172418	180.4
[M+H-H2O]+	292.206520	170.7
[M+HCOO]-	354.207461	197.9
[M+CH3COO]-	368.223111	208.7
[M+Na-2H]-	330.183926	180.9
[M]+	309.20871142	183.6
[M]-	309.20980858	183.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe