CID 132059

137403-12-4

Structural Information

Molecular Formula
C20H21N5O3S
SMILES
CS(=O)(=O)NC1=CC=C(C=C1)CC2=NOC(=N2)C3=CC4=C(C=C3)NC=C4CCN
InChI
InChI=1S/C20H21N5O3S/c1-29(26,27)25-16-5-2-13(3-6-16)10-19-23-20(28-24-19)14-4-7-18-17(11-14)15(8-9-21)12-22-18/h2-7,11-12,22,25H,8-10,21H2,1H3
InChIKey
HKXMQLISPYELRD-UHFFFAOYSA-N
Compound name
N-[4-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

37
References

74
Patents

411.1365 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.14378 194.8
[M+Na]+ 434.12572 206.8
[M+NH4]+ 429.17032 200.0
[M+K]+ 450.09966 203.3
[M-H]- 410.12922 199.8
[M+Na-2H]- 432.11117 201.1
[M]+ 411.13595 198.2
[M]- 411.13705 198.2
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