CID 3087194

Methanesulfonamide, n-(4-((1-(2-imidazo(1,2-a)pyridin-3-yl-2-oxoethyl)-4-piperidinyl)carbonyl)phenyl)-, dihydrochloride

Structural Information

Molecular Formula
C22H24N4O4S
SMILES
CS(=O)(=O)NC1=CC=C(C=C1)C(=O)C2CCN(CC2)CC(=O)C3=CN=C4N3C=CC=C4
InChI
InChI=1S/C22H24N4O4S/c1-31(29,30)24-18-7-5-16(6-8-18)22(28)17-9-12-25(13-10-17)15-20(27)19-14-23-21-4-2-3-11-26(19)21/h2-8,11,14,17,24H,9-10,12-13,15H2,1H3
InChIKey
KETLEORISHRALT-UHFFFAOYSA-N
Compound name
N-[4-[1-(2-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

440.15182 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.15910 202.4
[M+Na]+ 463.14104 208.0
[M-H]- 439.14454 208.9
[M+NH4]+ 458.18564 209.7
[M+K]+ 479.11498 202.6
[M+H-H2O]+ 423.14908 192.8
[M+HCOO]- 485.15002 213.2
[M+CH3COO]- 499.16567 227.9
[M+Na-2H]- 461.12649 203.2
[M]+ 440.15127 203.9
[M]- 440.15237 203.9
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