CID 91886069

7-[4-(difluoromethoxy)benzenesulfonyl]-2-(4-methoxybenzenesulfonyl)-2,7-diazaspiro[3.5]nonane

Structural Information

Molecular Formula
C21H24F2N2O6S2
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N2CC3(C2)CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC(F)F
InChI
InChI=1S/C21H24F2N2O6S2/c1-30-16-2-6-19(7-3-16)33(28,29)25-14-21(15-25)10-12-24(13-11-21)32(26,27)18-8-4-17(5-9-18)31-20(22)23/h2-9,20H,10-15H2,1H3
InChIKey
BSZDGZNXEHKOFN-UHFFFAOYSA-N
Compound name
7-[4-(difluoromethoxy)phenyl]sulfonyl-2-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

502.10437 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.11165 204.9
[M+Na]+ 525.09359 206.9
[M-H]- 501.09709 207.9
[M+NH4]+ 520.13819 203.8
[M+K]+ 541.06753 205.9
[M+H-H2O]+ 485.10163 187.8
[M+HCOO]- 547.10257 204.9
[M+CH3COO]- 561.11822 232.8
[M+Na-2H]- 523.07904 206.5
[M]+ 502.10382 212.8
[M]- 502.10492 212.8
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