CID 3084695

Dtxsid70885705

Structural Information

Molecular Formula
C17H19N3O3S
SMILES
CC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)S(=O)(=O)O)N3CCCC3
InChI
InChI=1S/C17H19N3O3S/c1-13-12-15(6-9-17(13)20-10-2-3-11-20)19-18-14-4-7-16(8-5-14)24(21,22)23/h4-9,12H,2-3,10-11H2,1H3,(H,21,22,23)
InChIKey
GZGPWLMGYIJBJX-UHFFFAOYSA-N
Compound name
4-[(3-methyl-4-pyrrolidin-1-ylphenyl)diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.11472 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.121996 179.4
[M+Na]+ 368.103938 186.5
[M-H]- 344.107444 189.5
[M+NH4]+ 363.148543 193.5
[M+K]+ 384.077878 182.1
[M+H-H2O]+ 328.111980 170.7
[M+HCOO]- 390.112921 198.9
[M+CH3COO]- 404.128571 213.3
[M+Na-2H]- 366.089386 181.8
[M]+ 345.11417142 180.9
[M]- 345.11526858 180.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.