CID 44669137

885268-86-0

Structural Information

Molecular Formula
C20H23NO6S
SMILES
COC1=CC=CC=C1OC2=CC=C(C=C2)S(=O)(=O)NC3(CCCCC3)C(=O)O
InChI
InChI=1S/C20H23NO6S/c1-26-17-7-3-4-8-18(17)27-15-9-11-16(12-10-15)28(24,25)21-20(19(22)23)13-5-2-6-14-20/h3-4,7-12,21H,2,5-6,13-14H2,1H3,(H,22,23)
InChIKey
XATZWHDKMQOVQQ-UHFFFAOYSA-N
Compound name
1-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.1246 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.13188 189.4
[M+Na]+ 428.11382 199.0
[M+NH4]+ 423.15842 196.2
[M+K]+ 444.08776 190.8
[M-H]- 404.11732 192.8
[M+Na-2H]- 426.09927 198.1
[M]+ 405.12405 192.1
[M]- 405.12515 192.1
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.