CID 3084695

38233-66-8

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 179.0
[M+Na]+ 368.10394 189.9
[M+NH4]+ 363.14854 185.9
[M+K]+ 384.07788 183.7
[M-H]- 344.10744 184.1
[M+Na-2H]- 366.08939 187.0
[M]+ 345.11417 182.2
[M]- 345.11527 182.2
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.