CID 76971321

N-(2-(n-methylsulfamoyl)ethyl) naratriptan

Structural Information

Molecular Formula
C20H32N4O4S2
SMILES
CNS(=O)(=O)CCN(C)S(=O)(=O)CCC1=CC2=C(C=C1)NC=C2C3CCN(CC3)C
InChI
InChI=1S/C20H32N4O4S2/c1-21-29(25,26)13-11-24(3)30(27,28)12-8-16-4-5-20-18(14-16)19(15-22-20)17-6-9-23(2)10-7-17/h4-5,14-15,17,21-22H,6-13H2,1-3H3
InChIKey
VIHPQHFOUNTSKJ-UHFFFAOYSA-N
Compound name
N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-N-[2-(methylsulfamoyl)ethyl]ethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.1865 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.19378 206.0
[M+Na]+ 479.17572 210.5
[M-H]- 455.17922 209.3
[M+NH4]+ 474.22032 214.7
[M+K]+ 495.14966 204.9
[M+H-H2O]+ 439.18376 198.7
[M+HCOO]- 501.18470 212.4
[M+CH3COO]- 515.20035 231.7
[M+Na-2H]- 477.16117 208.1
[M]+ 456.18595 209.2
[M]- 456.18705 209.2
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.