CID 71315091

1-cyclohexyl-3-(4-{2-[(cyclohexylcarbamoyl)amino]ethyl}benzenesulfonyl)urea

Structural Information

Molecular Formula
C22H34N4O4S
SMILES
C1CCC(CC1)NC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3
InChI
InChI=1S/C22H34N4O4S/c27-21(24-18-7-3-1-4-8-18)23-16-15-17-11-13-20(14-12-17)31(29,30)26-22(28)25-19-9-5-2-6-10-19/h11-14,18-19H,1-10,15-16H2,(H2,23,24,27)(H2,25,26,28)
InChIKey
FYNBBKUBRFUWKU-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-[4-[2-(cyclohexylcarbamoylamino)ethyl]phenyl]sulfonylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.23007 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.23735 199.3
[M+Na]+ 473.21929 195.5
[M-H]- 449.22279 205.0
[M+NH4]+ 468.26389 205.6
[M+K]+ 489.19323 191.7
[M+H-H2O]+ 433.22733 189.5
[M+HCOO]- 495.22827 210.6
[M+CH3COO]- 509.24392 234.8
[M+Na-2H]- 471.20474 200.1
[M]+ 450.22952 191.0
[M]- 450.23062 191.0
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.