CID 20819623

957035-42-6

Structural Information

Molecular Formula
C18H27NO5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC2CCC(CC2)NC(=O)OC(C)(C)C
InChI
InChI=1S/C18H27NO5S/c1-13-5-11-16(12-6-13)25(21,22)24-15-9-7-14(8-10-15)19-17(20)23-18(2,3)4/h5-6,11-12,14-15H,7-10H2,1-4H3,(H,19,20)
InChIKey
SVBOYWVVBMKJDS-UHFFFAOYSA-N
Compound name
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

369.16098 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.16826 185.1
[M+Na]+ 392.15020 192.8
[M+NH4]+ 387.19480 190.4
[M+K]+ 408.12414 187.5
[M-H]- 368.15370 186.1
[M+Na-2H]- 390.13565 189.1
[M]+ 369.16043 186.7
[M]- 369.16153 186.7
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