CID 121474266

Oryzalin metabolite or-7

Structural Information

Molecular Formula

C₁₂H₂₂N₄O₂S

SMILES

CCCN(CCC)C1=C(C=C(C=C1N)S(=O)(=O)N)N

InChI

InChI=1S/C12H22N4O2S/c1-3-5-16(6-4-2)12-10(13)7-9(8-11(12)14)19(15,17)18/h7-8H,3-6,13-14H2,1-2H3,(H2,15,17,18)

InChIKey

ZALZQKJFBNJCBS-UHFFFAOYSA-N

Compound name

3,5-diamino-4-(dipropylamino)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 2
Patents: 286.14636 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]+	287.15364	166.3
[M+Na]+	309.13558	172.8
[M+NH4]+	304.18018	171.8
[M+K]+	325.10952	167.6
[M-H]-	285.13908	168.2
[M+Na-2H]-	307.12103	169.2
[M]+	286.14581	167.7
[M]-	286.14691	167.7

Literature stripe

literature stripe

Patent stripe

patents stripe