CID 3087187

Methanesulfonamide, n-(4-((1-(4-pyridinylmethyl)-4-piperidinyl)carbonyl)phenyl)-, dihydrochloride

Structural Information

Molecular Formula
C19H23N3O3S
SMILES
CS(=O)(=O)NC1=CC=C(C=C1)C(=O)C2CCN(CC2)CC3=CC=NC=C3
InChI
InChI=1S/C19H23N3O3S/c1-26(24,25)21-18-4-2-16(3-5-18)19(23)17-8-12-22(13-9-17)14-15-6-10-20-11-7-15/h2-7,10-11,17,21H,8-9,12-14H2,1H3
InChIKey
QYHKRGNCFIJDMF-UHFFFAOYSA-N
Compound name
N-[4-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

373.14603 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.15331 186.7
[M+Na]+ 396.13525 191.0
[M-H]- 372.13875 192.6
[M+NH4]+ 391.17985 195.2
[M+K]+ 412.10919 185.5
[M+H-H2O]+ 356.14329 176.6
[M+HCOO]- 418.14423 198.4
[M+CH3COO]- 432.15988 215.5
[M+Na-2H]- 394.12070 188.6
[M]+ 373.14548 184.9
[M]- 373.14658 184.9
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