CID 162677504

Tenatoprazole sulfenamide

Structural Information

Molecular Formula

C₁₆H₁₇N₄O₂S

SMILES

CC1=C[N+]2=C(CSN3C2=NC4=C3N=C(C=C4)OC)C(=C1OC)C

InChI

InChI=1S/C16H17N4O2S/c1-9-7-19-12(10(2)14(9)22-4)8-23-20-15-11(17-16(19)20)5-6-13(18-15)21-3/h5-7H,8H2,1-4H3/q+1

InChIKey

MLVXCABPOOJGRW-UHFFFAOYSA-N

Compound name

5,13-dimethoxy-4,6-dimethyl-9-thia-10,12,17-triaza-2-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 329.1072 Da
Monoisotopic Mass: 2.9
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]+	330.114476	176.1
[M+Na]+	352.096418	189.4
[M-H]-	328.099924	179.0
[M+NH4]+	347.141023	190.9
[M+K]+	368.070358	178.5
[M+H-H2O]+	312.104460	170.5
[M+HCOO]-	374.105401	188.2
[M+CH3COO]-	388.121051	204.4
[M+Na-2H]-	350.081866	182.4
[M]+	329.10665142	183.5
[M]-	329.10774858	183.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.