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]+ 346.12200 179.4
[M+Na]+ 368.10394 186.5
[M-H]- 344.10744 189.5
[M+NH4]+ 363.14854 193.5
[M+K]+ 384.07788 182.1
[M+H-H2O]+ 328.11198 170.7
[M+HCOO]- 390.11292 198.9
[M+CH3COO]- 404.12857 213.3
[M+Na-2H]- 366.08939 181.8
[M]+ 345.11417 180.9
[M]- 345.11527 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.