CID 3074711

160857-62-5

Structural Information

Molecular Formula
C22H23N5O4S
SMILES
CC1=CC=C(C=C1)C2=NN=C(O2)C3=CCN(CC3)NS(=O)(=O)C4=CC=C(C=C4)NC(=O)C
InChI
InChI=1S/C22H23N5O4S/c1-15-3-5-17(6-4-15)21-24-25-22(31-21)18-11-13-27(14-12-18)26-32(29,30)20-9-7-19(8-10-20)23-16(2)28/h3-11,26H,12-14H2,1-2H3,(H,23,28)
InChIKey
JLLQRRFWZJQETR-UHFFFAOYSA-N
Compound name
N-[4-[[4-[5-(4-methylphenyl)-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

453.14706 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.15434 206.2
[M+Na]+ 476.13628 212.3
[M-H]- 452.13978 216.2
[M+NH4]+ 471.18088 210.5
[M+K]+ 492.11022 207.5
[M+H-H2O]+ 436.14432 195.6
[M+HCOO]- 498.14526 219.6
[M+CH3COO]- 512.16091 232.2
[M+Na-2H]- 474.12173 207.6
[M]+ 453.14651 207.6
[M]- 453.14761 207.6
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.