CID 132552

Cp-122288

Structural Information

Molecular Formula
C16H23N3O2S
SMILES
CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2C[C@H]3CCCN3C
InChI
InChI=1S/C16H23N3O2S/c1-17-22(20,21)11-12-5-6-16-15(8-12)13(10-18-16)9-14-4-3-7-19(14)2/h5-6,8,10,14,17-18H,3-4,7,9,11H2,1-2H3/t14-/m1/s1
InChIKey
BWQZTHPHLITOOZ-CQSZACIVSA-N
Compound name
N-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

90
Patents

321.1511 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15838 176.0
[M+Na]+ 344.14032 184.6
[M-H]- 320.14382 180.6
[M+NH4]+ 339.18492 192.4
[M+K]+ 360.11426 179.2
[M+H-H2O]+ 304.14836 169.7
[M+HCOO]- 366.14930 191.0
[M+CH3COO]- 380.16495 204.0
[M+Na-2H]- 342.12577 176.2
[M]+ 321.15055 178.2
[M]- 321.15165 178.2
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