CID 468824

N-[2-(1-methylspiro[2h-pyrrolo[3,2-b]pyridine-3,4'-piperidine]-1'-carbonyl)-1h-indol-5-yl]methanesulfonamide

Structural Information

Molecular Formula
C22H25N5O3S
SMILES
CN1CC2(CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C)C5=C1C=CC=N5
InChI
InChI=1S/C22H25N5O3S/c1-26-14-22(20-19(26)4-3-9-23-20)7-10-27(11-8-22)21(28)18-13-15-12-16(25-31(2,29)30)5-6-17(15)24-18/h3-6,9,12-13,24-25H,7-8,10-11,14H2,1-2H3
InChIKey
UIHQCZIDPSCIQM-UHFFFAOYSA-N
Compound name
N-[2-(1-methylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-piperidine]-1'-carbonyl)-1H-indol-5-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.16782 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.17510 203.1
[M+Na]+ 462.15704 211.6
[M-H]- 438.16054 208.0
[M+NH4]+ 457.20164 214.6
[M+K]+ 478.13098 205.3
[M+H-H2O]+ 422.16508 195.3
[M+HCOO]- 484.16602 211.2
[M+CH3COO]- 498.18167 210.8
[M+Na-2H]- 460.14249 204.5
[M]+ 439.16727 203.8
[M]- 439.16837 203.8
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.