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
3
Annotation Hits

0
References

0
Patents

282.11505 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12233 164.4
[M+Na]+ 305.10427 174.5
[M+NH4]+ 300.14887 170.4
[M+K]+ 321.07821 169.9
[M-H]- 281.10777 164.8
[M+Na-2H]- 303.08972 167.4
[M]+ 282.11450 166.1
[M]- 282.11560 166.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.