CID 3074710

160857-61-4

Structural Information

Molecular Formula
C22H23N5O5S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN2CCC(=CC2)C3=NN=C(O3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C22H23N5O5S/c1-15(28)23-18-5-9-20(10-6-18)33(29,30)26-27-13-11-17(12-14-27)22-25-24-21(32-22)16-3-7-19(31-2)8-4-16/h3-11,26H,12-14H2,1-2H3,(H,23,28)
InChIKey
NAJIZWBJHQRZCC-UHFFFAOYSA-N
Compound name
N-[4-[[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.142 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.14928 208.2
[M+Na]+ 492.13122 213.8
[M-H]- 468.13472 218.2
[M+NH4]+ 487.17582 211.7
[M+K]+ 508.10516 209.9
[M+H-H2O]+ 452.13926 197.5
[M+HCOO]- 514.14020 221.8
[M+CH3COO]- 528.15585 234.5
[M+Na-2H]- 490.11667 210.1
[M]+ 469.14145 210.9
[M]- 469.14255 210.9
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.