CID 25076643

Einecs 305-655-9

Structural Information

Molecular Formula

C₁₈H₁₆N₂O₃S

SMILES

CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)OS(=O)(=O)C)C

InChI

InChI=1S/C18H16N2O3S/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(23-24(3,21)22)4-5-16(14)20-18/h4-9,20H,1-3H3

InChIKey

DYCGGXLDHJHKRD-UHFFFAOYSA-N

Compound name

(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl) methanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 340.08817 Da
Monoisotopic Mass: 4.3
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]+	341.095446	179.6
[M+Na]+	363.077388	193.8
[M-H]-	339.080894	184.1
[M+NH4]+	358.121993	196.2
[M+K]+	379.051328	187.2
[M+H-H2O]+	323.085430	173.3
[M+HCOO]-	385.086371	194.3
[M+CH3COO]-	399.102021	191.7
[M+Na-2H]-	361.062836	185.9
[M]+	340.08762142	188.6
[M]-	340.08871858	188.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.