CID 199473

Brn 2682673

Structural Information

Molecular Formula
C20H30N4O4S2
SMILES
CN(C)S(=O)(=O)C1=CC=C(C=C1)CNCCNCC2=CC=C(C=C2)S(=O)(=O)N(C)C
InChI
InChI=1S/C20H30N4O4S2/c1-23(2)29(25,26)19-9-5-17(6-10-19)15-21-13-14-22-16-18-7-11-20(12-8-18)30(27,28)24(3)4/h5-12,21-22H,13-16H2,1-4H3
InChIKey
KPDJEIKIIJRPFO-UHFFFAOYSA-N
Compound name
4-[[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]ethylamino]methyl]-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.17084 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.17812 205.5
[M+Na]+ 477.16006 208.1
[M-H]- 453.16356 212.6
[M+NH4]+ 472.20466 213.9
[M+K]+ 493.13400 203.7
[M+H-H2O]+ 437.16810 195.2
[M+HCOO]- 499.16904 219.5
[M+CH3COO]- 513.18469 242.4
[M+Na-2H]- 475.14551 209.4
[M]+ 454.17029 210.8
[M]- 454.17139 210.8
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.