CID 376527

Nsc657486

Structural Information

Molecular Formula
C20H31NO7S
SMILES
C1CCC(CC1)NS(=O)(=O)C2=CC3=C(C=C2)OCCOCCOCCOCCO3
InChI
InChI=1S/C20H31NO7S/c22-29(23,21-17-4-2-1-3-5-17)18-6-7-19-20(16-18)28-15-13-26-11-9-24-8-10-25-12-14-27-19/h6-7,16-17,21H,1-5,8-15H2
InChIKey
IKTMHIVNKJEVFX-UHFFFAOYSA-N
Compound name
N-cyclohexyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.18213 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.18941 191.6
[M+Na]+ 452.17135 191.7
[M-H]- 428.17485 198.3
[M+NH4]+ 447.21595 191.8
[M+K]+ 468.14529 196.3
[M+H-H2O]+ 412.17939 188.8
[M+HCOO]- 474.18033 195.4
[M+CH3COO]- 488.19598 197.4
[M+Na-2H]- 450.15680 196.0
[M]+ 429.18158 185.7
[M]- 429.18268 185.7
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

No patent data available for this compound.