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
1
Annotation Hits

8
References

686
Patents

335.13037 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.13765 179.1
[M+Na]+ 358.11959 183.8
[M-H]- 334.12309 185.1
[M+NH4]+ 353.16419 191.3
[M+K]+ 374.09353 176.6
[M+H-H2O]+ 318.12763 175.1
[M+HCOO]- 380.12857 197.5
[M+CH3COO]- 394.14422 205.0
[M+Na-2H]- 356.10504 181.4
[M]+ 335.12982 181.7
[M]- 335.13092 181.7
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.