CID 4440

Naratriptan

Structural Information

Molecular Formula
C17H25N3O2S
SMILES
CNS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2C3CCN(CC3)C
InChI
InChI=1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3
InChIKey
AMKVXSZCKVJAGH-UHFFFAOYSA-N
Compound name
N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

334
References

13248
Patents

335.16675 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17403 177.9
[M+Na]+ 358.15597 188.3
[M+NH4]+ 353.20057 184.7
[M+K]+ 374.12991 182.0
[M-H]- 334.15947 180.0
[M+Na-2H]- 356.14142 182.4
[M]+ 335.16620 180.2
[M]- 335.16730 180.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe