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

17
Patents

502.10437 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.111646 204.9
[M+Na]+ 525.093588 206.9
[M-H]- 501.097094 207.9
[M+NH4]+ 520.138193 203.8
[M+K]+ 541.067528 205.9
[M+H-H2O]+ 485.101630 187.8
[M+HCOO]- 547.102571 204.9
[M+CH3COO]- 561.118221 232.8
[M+Na-2H]- 523.079036 206.5
[M]+ 502.10382142 212.8
[M]- 502.10491858 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