CID 154578372

2418670-70-7

Structural Information

Molecular Formula
C19H24ClN3O4S2
SMILES
CN(C)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=CC=C2)Cl)N3CCCCC3
InChI
InChI=1S/C19H24ClN3O4S2/c1-22(2)29(26,27)16-11-9-15(10-12-16)28(24,25)21-18-8-6-7-17(20)19(18)23-13-4-3-5-14-23/h6-12,21H,3-5,13-14H2,1-2H3
InChIKey
YPPWKTIVYUTTEH-UHFFFAOYSA-N
Compound name
1-N-(3-chloro-2-piperidin-1-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-disulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

13
Patents

457.0897 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.096976 201.3
[M+Na]+ 480.078918 206.3
[M-H]- 456.082424 209.6
[M+NH4]+ 475.123523 209.4
[M+K]+ 496.052858 200.1
[M+H-H2O]+ 440.086960 193.1
[M+HCOO]- 502.087901 205.8
[M+CH3COO]- 516.103551 230.7
[M+Na-2H]- 478.064366 204.2
[M]+ 457.08915142 203.7
[M]- 457.09024858 203.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe