CID 97146

73953-85-2

Structural Information

Molecular Formula
C20H26N4O6S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCCCCCNC(=O)NS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C20H26N4O6S2/c25-19(23-31(27,28)17-11-5-3-6-12-17)21-15-9-1-2-10-16-22-20(26)24-32(29,30)18-13-7-4-8-14-18/h3-8,11-14H,1-2,9-10,15-16H2,(H2,21,23,25)(H2,22,24,26)
InChIKey
VXHROGRVQMJGNU-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-3-[6-(benzenesulfonylcarbamoylamino)hexyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

482.12936 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.13664 207.9
[M+Na]+ 505.11858 208.1
[M-H]- 481.12208 211.4
[M+NH4]+ 500.16318 213.1
[M+K]+ 521.09252 202.4
[M+H-H2O]+ 465.12662 197.8
[M+HCOO]- 527.12756 220.1
[M+CH3COO]- 541.14321 236.0
[M+Na-2H]- 503.10403 213.7
[M]+ 482.12881 209.8
[M]- 482.12991 209.8
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

patents stripe