CID 3074712

160857-63-6

Structural Information

Molecular Formula
C21H21N5O4S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN2CCC(=CC2)C3=NN=C(O3)C4=CC=CC=C4
InChI
InChI=1S/C21H21N5O4S/c1-15(27)22-18-7-9-19(10-8-18)31(28,29)25-26-13-11-17(12-14-26)21-24-23-20(30-21)16-5-3-2-4-6-16/h2-11,25H,12-14H2,1H3,(H,22,27)
InChIKey
BDCUYRIKWVHNEA-UHFFFAOYSA-N
Compound name
N-[4-[[4-(5-phenyl-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

439.13144 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.13872 200.7
[M+Na]+ 462.12066 206.5
[M-H]- 438.12416 210.5
[M+NH4]+ 457.16526 205.4
[M+K]+ 478.09460 201.9
[M+H-H2O]+ 422.12870 190.1
[M+HCOO]- 484.12964 214.5
[M+CH3COO]- 498.14529 208.6
[M+Na-2H]- 460.10611 203.3
[M]+ 439.13089 201.4
[M]- 439.13199 201.4
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.