CID 101913340

Oryzalin metabolite or-14

Structural Information

Molecular Formula

C₁₂H₁₈N₄O₂S

SMILES

CCCN1C(=NC2=CC(=CC(=C21)N)S(=O)(=O)N)CC

InChI

InChI=1S/C12H18N4O2S/c1-3-5-16-11(4-2)15-10-7-8(19(14,17)18)6-9(13)12(10)16/h6-7H,3-5,13H2,1-2H3,(H2,14,17,18)

InChIKey

SRPDCLKWDLBIFK-UHFFFAOYSA-N

Compound name

7-amino-2-ethyl-1-propylbenzimidazole-5-sulfonamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 282.11505 Da
Monoisotopic Mass: 1.0
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]+	283.122326	164.1
[M+Na]+	305.104268	175.3
[M-H]-	281.107774	166.5
[M+NH4]+	300.148873	180.7
[M+K]+	321.078208	170.2
[M+H-H2O]+	265.112310	157.6
[M+HCOO]-	327.113251	181.8
[M+CH3COO]-	341.128901	203.0
[M+Na-2H]-	303.089716	166.6
[M]+	282.11450142	168.4
[M]-	282.11559858	168.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.