CID 71274

Ramixotidine

Structural Information

Molecular Formula

C₁₆H₂₁N₃O₃S

SMILES

CN(C)CC1=CC=C(O1)CSCCNC(=O)C2=C[N+](=CC=C2)[O-]

InChI

InChI=1S/C16H21N3O3S/c1-18(2)11-14-5-6-15(22-14)12-23-9-7-17-16(20)13-4-3-8-19(21)10-13/h3-6,8,10H,7,9,11-12H2,1-2H3,(H,17,20)

InChIKey

HIVRCMFJEMKPDS-UHFFFAOYSA-N

Compound name

N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-oxidopyridin-1-ium-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 687
Patents: 335.13037 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	336.137646	179.1
[M+Na]+	358.119588	183.8
[M-H]-	334.123094	185.1
[M+NH4]+	353.164193	191.3
[M+K]+	374.093528	176.6
[M+H-H2O]+	318.127630	175.1
[M+HCOO]-	380.128571	197.5
[M+CH3COO]-	394.144221	205.0
[M+Na-2H]-	356.105036	181.4
[M]+	335.12982142	181.7
[M]-	335.13091858	181.7

Literature stripe

literature stripe

Patent stripe

patents stripe