CID 365586

Nsc633385

Structural Information

Molecular Formula
C24H15N9O9S3
SMILES
C1=CC(=CC=C1N=[N+]=[N-])S(=O)(=O)OC2=CC(=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)N=[N+]=[N-])OS(=O)(=O)C4=CC=C(C=C4)N=[N+]=[N-]
InChI
InChI=1S/C24H15N9O9S3/c25-31-28-16-1-7-22(8-2-16)43(34,35)40-19-13-20(41-44(36,37)23-9-3-17(4-10-23)29-32-26)15-21(14-19)42-45(38,39)24-11-5-18(6-12-24)30-33-27/h1-15H
InChIKey
PTKYANZMPAIAMU-UHFFFAOYSA-N
Compound name
[3,5-bis[(4-azidophenyl)sulfonyloxy]phenyl] 4-azidobenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

669.0155 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 670.02278 248.1
[M+Na]+ 692.00472 243.7
[M-H]- 668.00822 259.8
[M+NH4]+ 687.04932 279.6
[M+K]+ 707.97866 223.7
[M+H-H2O]+ 652.01276 242.1
[M+HCOO]- 714.01370 264.5
[M+CH3COO]- 728.02935 257.5
[M+Na-2H]- 689.99017 271.0
[M]+ 669.01495 239.2
[M]- 669.01605 239.2
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.