CID 3025787

Ci-999

Structural Information

Molecular Formula
C25H35NO5S
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)OC(=O)NS(=O)(=O)OC2=C(C=CC=C2C(C)C)C(C)C
InChI
InChI=1S/C25H35NO5S/c1-15(2)19-11-9-12-20(16(3)4)23(19)30-25(27)26-32(28,29)31-24-21(17(5)6)13-10-14-22(24)18(7)8/h9-18H,1-8H3,(H,26,27)
InChIKey
MHCQGCLTFBMETG-UHFFFAOYSA-N
Compound name
[2,6-di(propan-2-yl)phenyl] N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

16
Patents

461.2236 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.23088 210.1
[M+Na]+ 484.21282 218.6
[M+NH4]+ 479.25742 213.9
[M+K]+ 500.18676 213.6
[M-H]- 460.21632 211.3
[M+Na-2H]- 482.19827 213.4
[M]+ 461.22305 211.9
[M]- 461.22415 211.9
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