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

115
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.