CID 38394

40136-84-3

Structural Information

Molecular Formula
C19H23N3O8S2
SMILES
CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C19H23N3O8S2/c1-31(25,26)29-13-11-22(12-14-30-32(2,27)28)16-9-7-15(8-10-16)20-21-18-6-4-3-5-17(18)19(23)24/h3-10H,11-14H2,1-2H3,(H,23,24)
InChIKey
VFDIQCPKTDCVOZ-UHFFFAOYSA-N
Compound name
2-[[4-[bis(2-methylsulfonyloxyethyl)amino]phenyl]diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.09265 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.09993 205.8
[M+Na]+ 508.08187 211.6
[M+NH4]+ 503.12647 208.0
[M+K]+ 524.05581 206.2
[M-H]- 484.08537 206.3
[M+Na-2H]- 506.06732 210.7
[M]+ 485.09210 207.1
[M]- 485.09320 207.1
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.