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
4
Annotation Hits

0
References

2
Patents

286.14636 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.15364 164.8
[M+Na]+ 309.13558 170.7
[M-H]- 285.13908 168.3
[M+NH4]+ 304.18018 179.9
[M+K]+ 325.10952 167.3
[M+H-H2O]+ 269.14362 157.1
[M+HCOO]- 331.14456 184.3
[M+CH3COO]- 345.16021 212.6
[M+Na-2H]- 307.12103 165.1
[M]+ 286.14581 164.9
[M]- 286.14691 164.9
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

patents stripe