CID 2738941

Maybridge4_004147

Structural Information

Molecular Formula

C₁₈H₂₀N₄O₄S

SMILES

CC1=NN(N=C1CNS(=O)(=O)C2=C(C=CC(=C2)OC)OC)C3=CC=CC=C3

InChI

InChI=1S/C18H20N4O4S/c1-13-16(21-22(20-13)14-7-5-4-6-8-14)12-19-27(23,24)18-11-15(25-2)9-10-17(18)26-3/h4-11,19H,12H2,1-3H3

InChIKey

QUKJPHSTGQGXHG-UHFFFAOYSA-N

Compound name

2,5-dimethoxy-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 0
Patents: 388.1205 Da
Monoisotopic Mass: 2.7
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]+	389.127776	190.8
[M+Na]+	411.109718	200.1
[M-H]-	387.113224	197.9
[M+NH4]+	406.154323	200.3
[M+K]+	427.083658	195.0
[M+H-H2O]+	371.117760	181.1
[M+HCOO]-	433.118701	207.6
[M+CH3COO]-	447.134351	218.4
[M+Na-2H]-	409.095166	192.8
[M]+	388.11995142	197.5
[M]-	388.12104858	197.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.