CID 49766969

(1-methyl-9h-pyrido[3,4-b]indol-7-yl) methanesulfonate

Structural Information

Molecular Formula
C13H12N2O3S
SMILES
CC1=NC=CC2=C1NC3=C2C=CC(=C3)OS(=O)(=O)C
InChI
InChI=1S/C13H12N2O3S/c1-8-13-11(5-6-14-8)10-4-3-9(7-12(10)15-13)18-19(2,16)17/h3-7,15H,1-2H3
InChIKey
JIZSQLYNDZETCO-UHFFFAOYSA-N
Compound name
(1-methyl-9H-pyrido[3,4-b]indol-7-yl) methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.05685 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.06413 160.4
[M+Na]+ 299.04607 173.1
[M-H]- 275.04957 163.5
[M+NH4]+ 294.09067 178.4
[M+K]+ 315.02001 168.0
[M+H-H2O]+ 259.05411 154.7
[M+HCOO]- 321.05505 175.9
[M+CH3COO]- 335.07070 173.2
[M+Na-2H]- 297.03152 166.6
[M]+ 276.05630 166.9
[M]- 276.05740 166.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.