CID 385346

Nsc676464

Structural Information

Molecular Formula
C22H17NO4S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)C(C2=NC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H17NO4S2/c24-28(25,18-10-3-1-4-11-18)22(29(26,27)19-12-5-2-6-13-19)21-16-15-17-9-7-8-14-20(17)23-21/h1-16,22H
InChIKey
BMDIXOOKVXZORU-UHFFFAOYSA-N
Compound name
2-[bis(benzenesulfonyl)methyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.0599 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.06718 198.0
[M+Na]+ 446.04912 205.7
[M-H]- 422.05262 206.2
[M+NH4]+ 441.09372 207.1
[M+K]+ 462.02306 198.7
[M+H-H2O]+ 406.05716 189.1
[M+HCOO]- 468.05810 206.8
[M+CH3COO]- 482.07375 206.4
[M+Na-2H]- 444.03457 204.6
[M]+ 423.05935 200.8
[M]- 423.06045 200.8
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.