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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12233 164.1
[M+Na]+ 305.10427 175.3
[M-H]- 281.10777 166.5
[M+NH4]+ 300.14887 180.7
[M+K]+ 321.07821 170.2
[M+H-H2O]+ 265.11231 157.6
[M+HCOO]- 327.11325 181.8
[M+CH3COO]- 341.12890 203.0
[M+Na-2H]- 303.08972 166.6
[M]+ 282.11450 168.4
[M]- 282.11560 168.4
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.