CID 57903459

(3-(2-(dimethylamino)ethyl)-1-(hydroxymethyl)-1h-indol-5-yl)-n-methylmethanesulfonamide

Structural Information

Molecular Formula
C15H23N3O3S
SMILES
CNS(=O)(=O)CC1=CC2=C(C=C1)N(C=C2CCN(C)C)CO
InChI
InChI=1S/C15H23N3O3S/c1-16-22(20,21)10-12-4-5-15-14(8-12)13(6-7-17(2)3)9-18(15)11-19/h4-5,8-9,16,19H,6-7,10-11H2,1-3H3
InChIKey
LLFXXOGYYGFSFW-UHFFFAOYSA-N
Compound name
1-[3-[2-(dimethylamino)ethyl]-1-(hydroxymethyl)indol-5-yl]-N-methylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

325.14603 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.153306 175.2
[M+Na]+ 348.135248 183.5
[M-H]- 324.138754 179.1
[M+NH4]+ 343.179853 191.4
[M+K]+ 364.109188 179.9
[M+H-H2O]+ 308.143290 168.4
[M+HCOO]- 370.144231 193.6
[M+CH3COO]- 384.159881 212.1
[M+Na-2H]- 346.120696 178.3
[M]+ 325.14548142 182.5
[M]- 325.14657858 182.5
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

patents stripe