CID 3731938

N,n'-di-p-tosyl-1,3-diaminopropane

Structural Information

Molecular Formula
C17H22N2O4S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCCCNS(=O)(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C17H22N2O4S2/c1-14-4-8-16(9-5-14)24(20,21)18-12-3-13-19-25(22,23)17-10-6-15(2)7-11-17/h4-11,18-19H,3,12-13H2,1-2H3
InChIKey
CPLSMCROYRDLCY-UHFFFAOYSA-N
Compound name
4-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

106
Patents

382.1021 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.10938 187.4
[M+Na]+ 405.09132 193.4
[M-H]- 381.09482 192.9
[M+NH4]+ 400.13592 198.6
[M+K]+ 421.06526 186.7
[M+H-H2O]+ 365.09936 179.1
[M+HCOO]- 427.10030 200.1
[M+CH3COO]- 441.11595 217.3
[M+Na-2H]- 403.07677 191.7
[M]+ 382.10155 191.1
[M]- 382.10265 191.1
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