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 209.2
[M+Na]+ 508.08187 212.1
[M-H]- 484.08537 216.5
[M+NH4]+ 503.12647 216.0
[M+K]+ 524.05581 209.7
[M+H-H2O]+ 468.08991 199.0
[M+HCOO]- 530.09085 223.9
[M+CH3COO]- 544.10650 240.8
[M+Na-2H]- 506.06732 214.6
[M]+ 485.09210 218.8
[M]- 485.09320 218.8
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.